7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one

C11H14N2O — CID 4193981

IUPAC7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
SMILESCc1cc2c(cc1C)NC(=O)CCN2
InChIInChI=1S/C11H14N2O/c1-7-5-9-10(6-8(7)2)13-11(14)3-4-12-9/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyXSGKFGDLSPXFOR-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.06
Rot. Bonds

About 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one

7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one (PubChem CID 4193981) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
PubChem CID4193981
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
SMILESCc1cc2c(cc1C)NC(=O)CCN2
InChIInChI=1S/C11H14N2O/c1-7-5-9-10(6-8(7)2)13-11(14)3-4-12-9/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyXSGKFGDLSPXFOR-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one?
The IUPAC name of 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one (CID 4193981) is 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one is Cc1cc2c(cc1C)NC(=O)CCN2.
What is the InChIKey of 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one?
The InChIKey is XSGKFGDLSPXFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-5-9-10(6-8(7)2)13-11(14)3-4-12-9/h5-6,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one?
7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one has a molecular weight of 190.25 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 4193981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).