2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile

C15H10N2O — CID 789785

IUPAC2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)C=C(c2ccccc2)O1
InChIInChI=1S/C15H10N2O/c1-11-7-13(14(9-16)10-17)8-15(18-11)12-5-3-2-4-6-12/h2-8H,1H3
InChIKeyMUDHLZDDQIUVAD-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.31
Rot. Bonds1

About 2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile

2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile (PubChem CID 789785) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile
PubChem CID789785
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)C=C(c2ccccc2)O1
InChIInChI=1S/C15H10N2O/c1-11-7-13(14(9-16)10-17)8-15(18-11)12-5-3-2-4-6-12/h2-8H,1H3
InChIKeyMUDHLZDDQIUVAD-UHFFFAOYSA-N
XLogP3.31
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile 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

(2-Methoxybenzylidene)malononitrile
CID 17813
3-(Benzyloxy)propionitrile
CID 80620
2-(3-Cyano-4-methyl-5-phenyl-5-(trifluoromethyl)furan-2(5H)-ylidene)malononitrile
CID 11674067
4-(Methoxymethyl)benzonitrile
CID 13285141
2-Methoxy-2-phenylacetonitrile
CID 320056
2-(Benzyloxy)acetonitrile
CID 3398610
4-(Benzyloxy)butanenitrile
CID 20458213
gamma-Methoxybenzenebutanenitrile
CID 97991
2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile
CID 4244802
[5-(4-Butylphenyl)-3-cyano-4,5-dimethylfuran-2(5H)-ylidene]propanedinitrile
CID 12138434
2-[3-Cyano-5-(2,4-difluorophenyl)-4,5-dimethylfuran-2-ylidene]propanedinitrile
CID 21337671
Benzene, (1-ethoxyethenyl)-
CID 570407

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile?
The IUPAC name of 2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile (CID 789785) is 2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile.
What is the SMILES notation for 2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile?
The canonical SMILES for 2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile is CC1=CC(=C(C#N)C#N)C=C(c2ccccc2)O1.
What is the InChIKey of 2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile?
The InChIKey is MUDHLZDDQIUVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c1-11-7-13(14(9-16)10-17)8-15(18-11)12-5-3-2-4-6-12/h2-8H,1H3.
What are the key properties of 2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile?
2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile has a molecular weight of 234.26 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-phenylpyran-4-ylidene)propanedinitrile is sourced from PubChem (CID 789785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).