2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile

C19H17NO2 — CID 23465642

IUPAC2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile
SMILESCC(C#N)CC1C(=O)c2ccccc2OC1c1ccccc1
InChIInChI=1S/C19H17NO2/c1-13(12-20)11-16-18(21)15-9-5-6-10-17(15)22-19(16)14-7-3-2-4-8-14/h2-10,13,16,19H,11H2,1H3
InChIKeyLVHPMEJVJVXAAH-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.17
Rot. Bonds3

About 2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile

2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile (PubChem CID 23465642) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile
PubChem CID23465642
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile
SMILESCC(C#N)CC1C(=O)c2ccccc2OC1c1ccccc1
InChIInChI=1S/C19H17NO2/c1-13(12-20)11-16-18(21)15-9-5-6-10-17(15)22-19(16)14-7-3-2-4-8-14/h2-10,13,16,19H,11H2,1H3
InChIKeyLVHPMEJVJVXAAH-UHFFFAOYSA-N
XLogP4.17
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile?
The IUPAC name of 2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile (CID 23465642) is 2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile.
What is the SMILES notation for 2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile?
The canonical SMILES for 2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile is CC(C#N)CC1C(=O)c2ccccc2OC1c1ccccc1.
What is the InChIKey of 2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile?
The InChIKey is LVHPMEJVJVXAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13(12-20)11-16-18(21)15-9-5-6-10-17(15)22-19(16)14-7-3-2-4-8-14/h2-10,13,16,19H,11H2,1H3.
What are the key properties of 2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile?
2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile has a molecular weight of 291.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile is sourced from PubChem (CID 23465642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).