1,3-dimethyl-3H-1,5-benzodiazepin-2-one

C11H12N2O — CID 144545698

IUPAC1,3-dimethyl-3H-1,5-benzodiazepin-2-one
SMILESCC1C=Nc2ccccc2N(C)C1=O
InChIInChI=1S/C11H12N2O/c1-8-7-12-9-5-3-4-6-10(9)13(2)11(8)14/h3-8H,1-2H3
InChIKeyAISRSZAOSRECEI-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.00
Rot. Bonds

About 1,3-dimethyl-3H-1,5-benzodiazepin-2-one

1,3-dimethyl-3H-1,5-benzodiazepin-2-one (PubChem CID 144545698) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,3-dimethyl-3H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-3H-1,5-benzodiazepin-2-one
PubChem CID144545698
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1,3-dimethyl-3H-1,5-benzodiazepin-2-one
SMILESCC1C=Nc2ccccc2N(C)C1=O
InChIInChI=1S/C11H12N2O/c1-8-7-12-9-5-3-4-6-10(9)13(2)11(8)14/h3-8H,1-2H3
InChIKeyAISRSZAOSRECEI-UHFFFAOYSA-N
XLogP2.00
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyl-3H-1,5-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-methyl-3H-indole
CID 90192707
CID 146165685
CID 146165685
diethyl 2-(1-methyl-2H-quinoxalin-2-yl)propanedioate
CID 13427041
3-amino-1,5-dimethyl-1,5-benzodiazepine-2,4-dione
CID 22312383
3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 22312414
2-(4-methoxyphenyl)-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
CID 173284648
3-(difluoromethyl)-1,4-dimethyl-3H-quinoxalin-2-one
CID 164577895
2-phenyl-3aH-imidazo[1,5-a]quinoxaline-1,3-dione
CID 173283974
(3R)-1,3-dimethyl-4,1-benzoxazepine-2,5-dione
CID 643298
3-bromo-1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione
CID 45024476
ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 123732001
2,4-dimethyl-4H-pyrazol-3-one
CID 535243

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3H-1,5-benzodiazepin-2-one?
The IUPAC name of 1,3-dimethyl-3H-1,5-benzodiazepin-2-one (CID 144545698) is 1,3-dimethyl-3H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 1,3-dimethyl-3H-1,5-benzodiazepin-2-one?
The canonical SMILES for 1,3-dimethyl-3H-1,5-benzodiazepin-2-one is CC1C=Nc2ccccc2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-3H-1,5-benzodiazepin-2-one?
The InChIKey is AISRSZAOSRECEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-7-12-9-5-3-4-6-10(9)13(2)11(8)14/h3-8H,1-2H3.
What are the key properties of 1,3-dimethyl-3H-1,5-benzodiazepin-2-one?
1,3-dimethyl-3H-1,5-benzodiazepin-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 144545698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).