4-phenyl-1,2-dihydropyridine

C11H11N — CID 18539434

IUPAC4-phenyl-1,2-dihydropyridine
SMILESC1=CC(c2ccccc2)=CCN1
InChIInChI=1S/C11H11N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-8,12H,9H2
InChIKeyDRYJNDPYAFADSD-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.19
Rot. Bonds1

About 4-phenyl-1,2-dihydropyridine

4-phenyl-1,2-dihydropyridine (PubChem CID 18539434) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 4-phenyl-1,2-dihydropyridine.

Molecular Properties

Compound Name4-phenyl-1,2-dihydropyridine
PubChem CID18539434
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name4-phenyl-1,2-dihydropyridine
SMILESC1=CC(c2ccccc2)=CCN1
InChIInChI=1S/C11H11N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-8,12H,9H2
InChIKeyDRYJNDPYAFADSD-UHFFFAOYSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-phenyl-1,2-dihydropyridine 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 4-phenyl-1,2-dihydropyridine?
The IUPAC name of 4-phenyl-1,2-dihydropyridine (CID 18539434) is 4-phenyl-1,2-dihydropyridine.
What is the SMILES notation for 4-phenyl-1,2-dihydropyridine?
The canonical SMILES for 4-phenyl-1,2-dihydropyridine is C1=CC(c2ccccc2)=CCN1.
What is the InChIKey of 4-phenyl-1,2-dihydropyridine?
The InChIKey is DRYJNDPYAFADSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-8,12H,9H2.
What are the key properties of 4-phenyl-1,2-dihydropyridine?
4-phenyl-1,2-dihydropyridine has a molecular weight of 157.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2-dihydropyridine is sourced from PubChem (CID 18539434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).