7-prop-2-enylazepin-2-one

C9H9NO — CID 139795455

IUPAC7-prop-2-enylazepin-2-one
SMILESC=CCc1ccccc(=O)n1
InChIInChI=1S/C9H9NO/c1-2-5-8-6-3-4-7-9(11)10-8/h2-4,6-7H,1,5H2
InChIKeyRVAUXELCUVJTQC-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.17
Rot. Bonds2

About 7-prop-2-enylazepin-2-one

7-prop-2-enylazepin-2-one (PubChem CID 139795455) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 7-prop-2-enylazepin-2-one.

Molecular Properties

Compound Name7-prop-2-enylazepin-2-one
PubChem CID139795455
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name7-prop-2-enylazepin-2-one
SMILESC=CCc1ccccc(=O)n1
InChIInChI=1S/C9H9NO/c1-2-5-8-6-3-4-7-9(11)10-8/h2-4,6-7H,1,5H2
InChIKeyRVAUXELCUVJTQC-UHFFFAOYSA-N
XLogP1.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Benzazepin-2-one
CID 20244764
4,7-Ditert-butylazepin-2-one
CID 10584976
Benzazoninone
CID 20269004
Pyridoazepinone
CID 129655251
Cyclopenta-(b)-pyridinone
CID 129707027
3-Fluoro-1-benzazepin-2-one
CID 87395462
3-(Fluoromethyl)-1-benzazepin-2-one
CID 145807747
7-(Trifluoromethyl)-1-benzazepin-2-one
CID 153881845
Cyclohepta[1,2-h]quinolinone
CID 138756899
6H-quinolin-2-one
CID 19699059
7-Bromo-1-benzazepin-2-one
CID 19989916
1-Benzazepin-2-one;hydrochloride
CID 20244763

Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enylazepin-2-one?
The IUPAC name of 7-prop-2-enylazepin-2-one (CID 139795455) is 7-prop-2-enylazepin-2-one.
What is the SMILES notation for 7-prop-2-enylazepin-2-one?
The canonical SMILES for 7-prop-2-enylazepin-2-one is C=CCc1ccccc(=O)n1.
What is the InChIKey of 7-prop-2-enylazepin-2-one?
The InChIKey is RVAUXELCUVJTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-5-8-6-3-4-7-9(11)10-8/h2-4,6-7H,1,5H2.
What are the key properties of 7-prop-2-enylazepin-2-one?
7-prop-2-enylazepin-2-one has a molecular weight of 147.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enylazepin-2-one is sourced from PubChem (CID 139795455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).