2-benzazepin-9-one

C10H7NO — CID 19029265

IUPAC2-benzazepin-9-one
SMILESO=c1cccc2cccncc1-2
InChIInChI=1S/C10H7NO/c12-10-5-1-3-8-4-2-6-11-7-9(8)10/h1-7H
InChIKeyMLAVBNBWGJTYGG-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.55
Rot. Bonds

About 2-benzazepin-9-one

2-benzazepin-9-one (PubChem CID 19029265) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-benzazepin-9-one.

Molecular Properties

Compound Name2-benzazepin-9-one
PubChem CID19029265
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name2-benzazepin-9-one
SMILESO=c1cccc2cccncc1-2
InChIInChI=1S/C10H7NO/c12-10-5-1-3-8-4-2-6-11-7-9(8)10/h1-7H
InChIKeyMLAVBNBWGJTYGG-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isoindole-4-one
CID 18933198
Cyclohepta[b]pyridin-4-one
CID 91267558
CID 90796494
CID 90796494
Dibenzo[c,e]azepinone
CID 162368597
2-Benzazepin-4-one
CID 19763352
Benzo[d][1]benzazepin-11-one
CID 22390471
1-Benzazepin-9-one
CID 22419835
2-Benzazepin-6-one
CID 22620832
6,7-Dihydro-1-benzazepin-5-one
CID 53770788
1,4Benzodiazepin-9-one
CID 56627668
2-Benzazepin-7-one
CID 67452718
1,4-Benzodiazepin-9-one;hydrochloride
CID 67581180

Frequently Asked Questions

What is the IUPAC name of 2-benzazepin-9-one?
The IUPAC name of 2-benzazepin-9-one (CID 19029265) is 2-benzazepin-9-one.
What is the SMILES notation for 2-benzazepin-9-one?
The canonical SMILES for 2-benzazepin-9-one is O=c1cccc2cccncc1-2.
What is the InChIKey of 2-benzazepin-9-one?
The InChIKey is MLAVBNBWGJTYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c12-10-5-1-3-8-4-2-6-11-7-9(8)10/h1-7H.
What are the key properties of 2-benzazepin-9-one?
2-benzazepin-9-one has a molecular weight of 157.17 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzazepin-9-one is sourced from PubChem (CID 19029265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).