1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione

C11H12N2O2 — CID 15649433

IUPAC1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)N(C)c2ccccc2C1=O
InChIInChI=1S/C11H12N2O2/c1-12-7-10(14)13(2)9-6-4-3-5-8(9)11(12)15/h3-6H,7H2,1-2H3
InChIKeyKEWVNNQQTVFTIW-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.74
Rot. Bonds

About 1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione

1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione (PubChem CID 15649433) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione
PubChem CID15649433
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)N(C)c2ccccc2C1=O
InChIInChI=1S/C11H12N2O2/c1-12-7-10(14)13(2)9-6-4-3-5-8(9)11(12)15/h3-6H,7H2,1-2H3
InChIKeyKEWVNNQQTVFTIW-UHFFFAOYSA-N
XLogP0.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzepin
CID 9419
Dibenzepin Hydrochloride
CID 443945
2-Amino-N-isopropylbenzamide
CID 94411
1-Methylisatin
CID 16358
Bentazon methyl
CID 611316
(2-Aminophenyl)(pyrrolidin-1-yl)methanone
CID 713136
3-Benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 15649435
U 17660
CID 26008
4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
CID 3725575
Cyclopeptine
CID 179574
1-Dodecylindoline-2,3-dione
CID 1897797
2-(Methylamino)benzamide
CID 101222

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione (CID 15649433) is 1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione is CN1CC(=O)N(C)c2ccccc2C1=O.
What is the InChIKey of 1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione?
The InChIKey is KEWVNNQQTVFTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-12-7-10(14)13(2)9-6-4-3-5-8(9)11(12)15/h3-6H,7H2,1-2H3.
What are the key properties of 1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione?
1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione has a molecular weight of 204.23 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 15649433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).