5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one

C15H16N2O — CID 172857617

IUPAC5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one
SMILESCC=Cc1nc(CCC)c(=O)nc2ccccc12
InChIInChI=1S/C15H16N2O/c1-3-7-12-11-9-5-6-10-13(11)17-15(18)14(16-12)8-4-2/h3,5-7,9-10H,4,8H2,1-2H3
InChIKeyYXSSDBGXJWCPLE-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.98
Rot. Bonds3

About 5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one

5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one (PubChem CID 172857617) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one
PubChem CID172857617
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one
SMILESCC=Cc1nc(CCC)c(=O)nc2ccccc12
InChIInChI=1S/C15H16N2O/c1-3-7-12-11-9-5-6-10-13(11)17-15(18)14(16-12)8-4-2/h3,5-7,9-10H,4,8H2,1-2H3
InChIKeyYXSSDBGXJWCPLE-UHFFFAOYSA-N
XLogP2.98
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Bis(1-fluoroprop-2-enyl)-1,4-benzodiazepin-2-one
CID 68315362
3,5-Bis(3-fluoroprop-2-enyl)-1,4-benzodiazepin-2-one
CID 68315363
5-Fluoro-3-prop-2-enyl-1,4-benzodiazepin-2-one
CID 90083620
3-Ethyl-1,4-benzodiazepin-2-one
CID 21566865
3-Propylindol-2-one
CID 53932850
3-Pentyl-1,4-benzodiazepin-2-one
CID 68148698
7,8-Dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 68715261
7,8-Dihydrobenzo[b][1,4]benzodiazepin-6-one;hydrochloride
CID 140355424
3-Propyl-1,4-benzodiazepin-2-one
CID 140380018
3-Butyl-1,4-benzodiazepin-2-one
CID 152499775
3,5-Dimethyl-1,4-benzodiazepin-2-one
CID 153855203
(4Z)-2-propanoylimino-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide
CID 169248895

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one?
The IUPAC name of 5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one (CID 172857617) is 5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one is CC=Cc1nc(CCC)c(=O)nc2ccccc12.
What is the InChIKey of 5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one?
The InChIKey is YXSSDBGXJWCPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-7-12-11-9-5-6-10-13(11)17-15(18)14(16-12)8-4-2/h3,5-7,9-10H,4,8H2,1-2H3.
What are the key properties of 5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one?
5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one has a molecular weight of 240.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-enyl-3-propyl-1,4-benzodiazepin-2-one is sourced from PubChem (CID 172857617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).