4-methyl-2,4-benzodiazepine-1,3,5-trione

C10H8N2O3 — CID 46706813

IUPAC4-methyl-2,4-benzodiazepine-1,3,5-trione
SMILESCn1c(=O)[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C10H8N2O3/c1-12-9(14)7-5-3-2-4-6(7)8(13)11-10(12)15/h2-5H,1H3,(H,11,13,15)
InChIKeyMUJIRIDCYXNNKA-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.41
Rot. Bonds

About 4-methyl-2,4-benzodiazepine-1,3,5-trione

4-methyl-2,4-benzodiazepine-1,3,5-trione (PubChem CID 46706813) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-methyl-2,4-benzodiazepine-1,3,5-trione.

Molecular Properties

Compound Name4-methyl-2,4-benzodiazepine-1,3,5-trione
PubChem CID46706813
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name4-methyl-2,4-benzodiazepine-1,3,5-trione
SMILESCn1c(=O)[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C10H8N2O3/c1-12-9(14)7-5-3-2-4-6(7)8(13)11-10(12)15/h2-5H,1H3,(H,11,13,15)
InChIKeyMUJIRIDCYXNNKA-UHFFFAOYSA-N
XLogP-0.41
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2,3-dimethylisoquinolin-1-one;ethane
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,4-benzodiazepine-1,3,5-trione?
The IUPAC name of 4-methyl-2,4-benzodiazepine-1,3,5-trione (CID 46706813) is 4-methyl-2,4-benzodiazepine-1,3,5-trione.
What is the SMILES notation for 4-methyl-2,4-benzodiazepine-1,3,5-trione?
The canonical SMILES for 4-methyl-2,4-benzodiazepine-1,3,5-trione is Cn1c(=O)[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of 4-methyl-2,4-benzodiazepine-1,3,5-trione?
The InChIKey is MUJIRIDCYXNNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-12-9(14)7-5-3-2-4-6(7)8(13)11-10(12)15/h2-5H,1H3,(H,11,13,15).
What are the key properties of 4-methyl-2,4-benzodiazepine-1,3,5-trione?
4-methyl-2,4-benzodiazepine-1,3,5-trione has a molecular weight of 204.19 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,4-benzodiazepine-1,3,5-trione is sourced from PubChem (CID 46706813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).