8-isopropyl-8-azabicyclo[3.2.1]octan-3-one

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8-isopropyl-8-azabicyclo[3.2.1]octan-3-one

UUID a9b83afe-bbb0-4696-8189-b8c3aaea84ee

Flow Object ID fo-3d79784f3dcf0475

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 3423-28-7

EC Numbers 222-315-4

prefLabel

Language	Value	Provenance
`en`	`8-isopropyl-8-azabicyclo[3.2.1]octan-3-one`

altLabel ⓘ

Language	Value	Provenance
`en`	`3-Nortropanone, 8-isopropyl-`
`en`	`8-(1-Methylethyl)-8-azabicyclo[3.2.1]octan-3-one`
`en`	`8-Azabicyclo[3.2.1]octan-3-one, 8-(1-methylethyl)-`
`en`	`8-Isopropylnortropinone`

References

Shared Properties

Predicate	Value
InChIKey	`AKETXTOLBLTPTP-DTORHVGOSA-N, AKETXTOLBLTPTP-UHFFFAOYSA-N, NXBNYUSXDBHELA-DHZHZOJOSA-N`
InChI	`InChI=1S/C10H17NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-9H,3-6H2,1-2H3, InChI=1S/C10H17NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-9H,3-6H2,1-2H3/t8-,9+, InChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+`
IUPAC name	`(1R,5S)-8-isopropyl-8-azabicyclo[3.2.1]octan-3-one, (1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one, (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one, (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, 8-isopropyl-8-azabicyclo[3.2.1]octan-3-one, 8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one`
Molecular formula	`C10H17NO, C16H14O3`
SMILES	`CC(C)N1C2CCC1CC(=O)C2, CC(C)N1[C@@H]2CC[C@H]1CC(=O)C2, COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O, COC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`a9b83afe-bbb0-4696-8189-b8c3aaea84ee`	8-isopropyl-8-azabicyclo[3.2.1]octan-3-one

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	8-isopropyl-8-azabicyclo[3.2.1]octan-3-one	Emissions/Emissions to air/Emissions to air, unspecified	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=8-isopropyl-8-azabicyclo[3.2.1]octan-3-one\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=3423-28-7; added Common Chemistry CAS names as altLabel: 3-Nortropanone, 8-isopropyl-, 8-(1-Methylethyl)-8-azabicyclo[3.2.1]octan-3-one, 8-Azabicyclo[3.2.1]octan-3-one, 8-(1-methylethyl)-, 8-Isopropylnortropinone; object_uuid=fo-3d79784f3dcf0475
`cas_match_labels`	1	`—`	consensus_match	group_key=8-isopropyl-8-azabicyclo[3.2.1]octan-3-one\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3423-28-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3d79784f3dcf0475: {'3423-28-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '3-Nortropanone, 8-isopropyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3423-28-7', 'https://commonchemistry.cas.org/detail?cas_rn=3423-28-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '8-(1-Methylethyl)-8-azabicyclo[3.2.1]octan-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3423-28-7', 'https://commonchemistry.cas.org/detail?cas_rn=3423-28-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '8-Azabicyclo[3.2.1]octan-3-one, 8-(1-methylethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3423-28-7', 'https://commonchemistry.cas.org/detail?cas_rn=3423-28-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '8-Isopropylnortropinone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3423-28-7', 'https://commonchemistry.cas.org/detail?cas_rn=3423-28-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=8-isopropyl-8-azabicyclo[3.2.1]octan-3-one\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=3423-28-7; added Common Chemistry CAS names as altLabel: 3-Nortropanone, 8-isopropyl-, 8-(1-Methylethyl)-8-azabicyclo[3.2.1]octan-3-one, 8-Azabicyclo[3.2.1]octan-3-one, 8-(1-methylethyl)-, 8-Isopropylnortropinone; object_uuid=fo-3d79784f3dcf0475
`cas_match_labels`	`None`	`{'3423-28-7': 'exactMatch'}`	group_key=8-isopropyl-8-azabicyclo[3.2.1]octan-3-one\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3423-28-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3d79784f3dcf0475: {'3423-28-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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