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

C13H16N2O2 — CID 79910927

IUPAC3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCCCN1C(=O)C(C)NC(=O)c2ccccc21
InChIInChI=1S/C13H16N2O2/c1-3-8-15-11-7-5-4-6-10(11)12(16)14-9(2)13(15)17/h4-7,9H,3,8H2,1-2H3,(H,14,16)
InChIKeyQYEOVRVTWHBQSN-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.56
Rot. Bonds2

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

3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 79910927) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID79910927
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCCCN1C(=O)C(C)NC(=O)c2ccccc21
InChIInChI=1S/C13H16N2O2/c1-3-8-15-11-7-5-4-6-10(11)12(16)14-9(2)13(15)17/h4-7,9H,3,8H2,1-2H3,(H,14,16)
InChIKeyQYEOVRVTWHBQSN-UHFFFAOYSA-N
XLogP1.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 79910927) is 3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CCCN1C(=O)C(C)NC(=O)c2ccccc21.
What is the InChIKey of 3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is QYEOVRVTWHBQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-8-15-11-7-5-4-6-10(11)12(16)14-9(2)13(15)17/h4-7,9H,3,8H2,1-2H3,(H,14,16).
What are the key properties of 3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 79910927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).