2,9-dihydro-3-benzazepin-6-one

C10H9NO — CID 70203073

IUPAC2,9-dihydro-3-benzazepin-6-one
SMILESO=C1C=CCC2=CCN=CC=C12
InChIInChI=1S/C10H9NO/c12-10-3-1-2-8-4-6-11-7-5-9(8)10/h1,3-5,7H,2,6H2
InChIKeyDYQQGVOULLWSDU-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.45
Rot. Bonds

About 2,9-dihydro-3-benzazepin-6-one

2,9-dihydro-3-benzazepin-6-one (PubChem CID 70203073) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2,9-dihydro-3-benzazepin-6-one.

Molecular Properties

Compound Name2,9-dihydro-3-benzazepin-6-one
PubChem CID70203073
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2,9-dihydro-3-benzazepin-6-one
SMILESO=C1C=CCC2=CCN=CC=C12
InChIInChI=1S/C10H9NO/c12-10-3-1-2-8-4-6-11-7-5-9(8)10/h1,3-5,7H,2,6H2
InChIKeyDYQQGVOULLWSDU-UHFFFAOYSA-N
XLogP1.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzo[c,e]azepinone
CID 162368597
8aH-quinolin-8-one
CID 13507518
2-Benzazepin-9-one
CID 19029265
isoquinolin-5(1 H)-one
CID 22598424
2-Benzazepin-6-one
CID 22620832
6,7-Dihydro-1-benzazepin-5-one
CID 53770788
2,9-Dihydro-1-benzazepin-6-one
CID 57031443
3-(3-Oxocyclohexen-1-yl)azepin-2-one
CID 57257315
5,7-Dihydro-1-benzazepin-6-one;dihydrobromide
CID 67729416
5,7-Dihydro-1-benzazepin-6-one
CID 67729417
1,2-Dihydro-3-benzazepin-6-one
CID 70203070
7,9-Dihydro-3-benzazepin-8-one;hydrochloride
CID 70203172

Frequently Asked Questions

What is the IUPAC name of 2,9-dihydro-3-benzazepin-6-one?
The IUPAC name of 2,9-dihydro-3-benzazepin-6-one (CID 70203073) is 2,9-dihydro-3-benzazepin-6-one.
What is the SMILES notation for 2,9-dihydro-3-benzazepin-6-one?
The canonical SMILES for 2,9-dihydro-3-benzazepin-6-one is O=C1C=CCC2=CCN=CC=C12.
What is the InChIKey of 2,9-dihydro-3-benzazepin-6-one?
The InChIKey is DYQQGVOULLWSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-3-1-2-8-4-6-11-7-5-9(8)10/h1,3-5,7H,2,6H2.
What are the key properties of 2,9-dihydro-3-benzazepin-6-one?
2,9-dihydro-3-benzazepin-6-one has a molecular weight of 159.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dihydro-3-benzazepin-6-one is sourced from PubChem (CID 70203073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).