2-benzazepin-4-one

C10H7NO — CID 19763352

IUPAC2-benzazepin-4-one
SMILESO=c1cncc2ccccc2c1
InChIInChI=1S/C10H7NO/c12-10-5-8-3-1-2-4-9(8)6-11-7-10/h1-7H
InChIKeyFRODSPDVVZRMFN-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.60
Rot. Bonds

About 2-benzazepin-4-one

2-benzazepin-4-one (PubChem CID 19763352) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-benzazepin-4-one.

Molecular Properties

Compound Name2-benzazepin-4-one
PubChem CID19763352
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name2-benzazepin-4-one
SMILESO=c1cncc2ccccc2c1
InChIInChI=1S/C10H7NO/c12-10-5-8-3-1-2-4-9(8)6-11-7-10/h1-7H
InChIKeyFRODSPDVVZRMFN-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

Isoindol-6-one
CID 18361956
Oxo 3h azepine
CID 21617274
Isoquinoline-7-one
CID 67245344
7H-isoquinolin-6-one
CID 123935586
2-Azafluoren-7-one
CID 129650989
Dibenzo[c,e]azepinone
CID 162368597
2-Benzazepin-9-one
CID 19029265
Cyclopenta[c]pyridin-6-one
CID 19748666
1-Benzazepin-7-one
CID 22356006
2-Benzazepin-6-one
CID 22620832
2-Benzazepin-7-one
CID 67452718
Cyclopenta[c]pyridin-6-one;hydrobromide
CID 70110478

Frequently Asked Questions

What is the IUPAC name of 2-benzazepin-4-one?
The IUPAC name of 2-benzazepin-4-one (CID 19763352) is 2-benzazepin-4-one.
What is the SMILES notation for 2-benzazepin-4-one?
The canonical SMILES for 2-benzazepin-4-one is O=c1cncc2ccccc2c1.
What is the InChIKey of 2-benzazepin-4-one?
The InChIKey is FRODSPDVVZRMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c12-10-5-8-3-1-2-4-9(8)6-11-7-10/h1-7H.
What are the key properties of 2-benzazepin-4-one?
2-benzazepin-4-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 2-benzazepin-4-one is sourced from PubChem (CID 19763352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).