3-benzazepin-2-one

C10H7NO — CID 19092219

IUPAC3-benzazepin-2-one
SMILESO=c1cc2ccccc2ccn1
InChIInChI=1S/C10H7NO/c12-10-7-9-4-2-1-3-8(9)5-6-11-10/h1-7H
InChIKeyFVMQJWDMZWHTEQ-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.60
Rot. Bonds

About 3-benzazepin-2-one

3-benzazepin-2-one (PubChem CID 19092219) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-benzazepin-2-one.

Molecular Properties

Compound Name3-benzazepin-2-one
PubChem CID19092219
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name3-benzazepin-2-one
SMILESO=c1cc2ccccc2ccn1
InChIInChI=1S/C10H7NO/c12-10-7-9-4-2-1-3-8(9)5-6-11-10/h1-7H
InChIKeyFVMQJWDMZWHTEQ-UHFFFAOYSA-N
XLogP1.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Oxopyrido[2,3-b]azepine
CID 54484510
Carbonyl pyridone
CID 77520314
3-Carbonyl-pyridine
CID 87556379
Cyclopenta[d]pyridon
CID 91450060
2H-3-benzazepine-2-on-hydrochloride
CID 129717137
10aH-2-benzazocin-3-one
CID 123396627
Cyclohepta[c]pyridin-1-one
CID 132279945
3-Methylidenepyridin-2-one
CID 18522756
3-Ethylazepin-2-one
CID 23218762
Isoquinolin-1(7H)-one
CID 45079456
6aH-3-benzazocin-4-one
CID 54522036
2-Benzazepin-7-one
CID 67452718

Frequently Asked Questions

What is the IUPAC name of 3-benzazepin-2-one?
The IUPAC name of 3-benzazepin-2-one (CID 19092219) is 3-benzazepin-2-one.
What is the SMILES notation for 3-benzazepin-2-one?
The canonical SMILES for 3-benzazepin-2-one is O=c1cc2ccccc2ccn1.
What is the InChIKey of 3-benzazepin-2-one?
The InChIKey is FVMQJWDMZWHTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c12-10-7-9-4-2-1-3-8(9)5-6-11-10/h1-7H.
What are the key properties of 3-benzazepin-2-one?
3-benzazepin-2-one has a molecular weight of 157.17 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzazepin-2-one is sourced from PubChem (CID 19092219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).