4,9-dihydro-1,2-benzodiazepin-6-one

C9H8N2O — CID 57305512

IUPAC4,9-dihydro-1,2-benzodiazepin-6-one
SMILESO=C1C=CCC2=NN=CCC=C12
InChIInChI=1S/C9H8N2O/c12-9-5-1-4-8-7(9)3-2-6-10-11-8/h1,3,5-6H,2,4H2
InChIKeyWQVJNPGBRXZJFN-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.27
Rot. Bonds

About 4,9-dihydro-1,2-benzodiazepin-6-one

4,9-dihydro-1,2-benzodiazepin-6-one (PubChem CID 57305512) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4,9-dihydro-1,2-benzodiazepin-6-one.

Molecular Properties

Compound Name4,9-dihydro-1,2-benzodiazepin-6-one
PubChem CID57305512
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4,9-dihydro-1,2-benzodiazepin-6-one
SMILESO=C1C=CCC2=NN=CCC=C12
InChIInChI=1S/C9H8N2O/c12-9-5-1-4-8-7(9)3-2-6-10-11-8/h1,3,5-6H,2,4H2
InChIKeyWQVJNPGBRXZJFN-UHFFFAOYSA-N
XLogP1.27
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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6-fluoro-6H-cinnolin-4-one
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4,5-Dihydro-1,2-benzodiazepin-7-one
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1,2-Benzodiazepin-9-one
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1,2-Benzodiazepin-9-one;hydrochloride
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2,9-Dihydro-1-benzazepin-6-one
CID 57031443
4a,5-dihydro-4H-cinnolin-8-one
CID 57294843
6,7-Dihydroindazol-5-one
CID 66617414
7,9-Dihydro-1,2-benzodiazepin-8-one
CID 67798384
4,6-Dihydro-1,2-benzodiazepin-7-one
CID 69956507

Frequently Asked Questions

What is the IUPAC name of 4,9-dihydro-1,2-benzodiazepin-6-one?
The IUPAC name of 4,9-dihydro-1,2-benzodiazepin-6-one (CID 57305512) is 4,9-dihydro-1,2-benzodiazepin-6-one.
What is the SMILES notation for 4,9-dihydro-1,2-benzodiazepin-6-one?
The canonical SMILES for 4,9-dihydro-1,2-benzodiazepin-6-one is O=C1C=CCC2=NN=CCC=C12.
What is the InChIKey of 4,9-dihydro-1,2-benzodiazepin-6-one?
The InChIKey is WQVJNPGBRXZJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-5-1-4-8-7(9)3-2-6-10-11-8/h1,3,5-6H,2,4H2.
What are the key properties of 4,9-dihydro-1,2-benzodiazepin-6-one?
4,9-dihydro-1,2-benzodiazepin-6-one has a molecular weight of 160.18 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dihydro-1,2-benzodiazepin-6-one is sourced from PubChem (CID 57305512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).