6-phenyl-3,4-dihydropyridine

C11H11N — CID 22751216

IUPAC6-phenyl-3,4-dihydropyridine
SMILESC1=NC(c2ccccc2)=CCC1
InChIInChI=1S/C11H11N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-9H,4-5H2
InChIKeyHGEDJORLEOBJLF-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.89
Rot. Bonds1

About 6-phenyl-3,4-dihydropyridine

6-phenyl-3,4-dihydropyridine (PubChem CID 22751216) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 6-phenyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-phenyl-3,4-dihydropyridine
PubChem CID22751216
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name6-phenyl-3,4-dihydropyridine
SMILESC1=NC(c2ccccc2)=CCC1
InChIInChI=1S/C11H11N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-9H,4-5H2
InChIKeyHGEDJORLEOBJLF-UHFFFAOYSA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3,4-dihydropyridine?
The IUPAC name of 6-phenyl-3,4-dihydropyridine (CID 22751216) is 6-phenyl-3,4-dihydropyridine.
What is the SMILES notation for 6-phenyl-3,4-dihydropyridine?
The canonical SMILES for 6-phenyl-3,4-dihydropyridine is C1=NC(c2ccccc2)=CCC1.
What is the InChIKey of 6-phenyl-3,4-dihydropyridine?
The InChIKey is HGEDJORLEOBJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-9H,4-5H2.
What are the key properties of 6-phenyl-3,4-dihydropyridine?
6-phenyl-3,4-dihydropyridine has a molecular weight of 157.22 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3,4-dihydropyridine is sourced from PubChem (CID 22751216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).