4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C10H10N2O2 — CID 3725575

IUPAC4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2ccccc2C1=O
InChIInChI=1S/C10H10N2O2/c1-12-6-9(13)11-8-5-3-2-4-7(8)10(12)14/h2-5H,6H2,1H3,(H,11,13)
InChIKeyZVHUQIMPAVOVTR-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.71
Rot. Bonds

About 4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione

4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 3725575) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID3725575
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1CC(=O)Nc2ccccc2C1=O
InChIInChI=1S/C10H10N2O2/c1-12-6-9(13)11-8-5-3-2-4-7(8)10(12)14/h2-5H,6H2,1H3,(H,11,13)
InChIKeyZVHUQIMPAVOVTR-UHFFFAOYSA-N
XLogP0.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 3725575) is 4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is CN1CC(=O)Nc2ccccc2C1=O.
What is the InChIKey of 4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is ZVHUQIMPAVOVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12-6-9(13)11-8-5-3-2-4-7(8)10(12)14/h2-5H,6H2,1H3,(H,11,13).
What are the key properties of 4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 190.20 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 3725575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).