1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C11H12N2O2 — CID 3508186

IUPAC1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCc1ccc2c(c1)C(=O)NCC(=O)N2C
InChIInChI=1S/C11H12N2O2/c1-7-3-4-9-8(5-7)11(15)12-6-10(14)13(9)2/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyNJTJXKLVGGVKRN-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.70
Rot. Bonds

About 1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione

1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 3508186) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID3508186
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCc1ccc2c(c1)C(=O)NCC(=O)N2C
InChIInChI=1S/C11H12N2O2/c1-7-3-4-9-8(5-7)11(15)12-6-10(14)13(9)2/h3-5H,6H2,1-2H3,(H,12,15)
InChIKeyNJTJXKLVGGVKRN-UHFFFAOYSA-N
XLogP0.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione 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 1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 3508186) is 1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is Cc1ccc2c(c1)C(=O)NCC(=O)N2C.
What is the InChIKey of 1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is NJTJXKLVGGVKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-3-4-9-8(5-7)11(15)12-6-10(14)13(9)2/h3-5H,6H2,1-2H3,(H,12,15).
What are the key properties of 1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 204.23 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 3508186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).