2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine

C18H19N — CID 145261419

IUPAC2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine
SMILESCc1ccc(C2=CC(C3C=CC=CC3)NC=C2)cc1
InChIInChI=1S/C18H19N/c1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16/h2-5,7-13,16,18-19H,6H2,1H3
InChIKeyQHGCSAVPORZSFY-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.00
Rot. Bonds2

About 2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine

2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine (PubChem CID 145261419) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine
PubChem CID145261419
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine
SMILESCc1ccc(C2=CC(C3C=CC=CC3)NC=C2)cc1
InChIInChI=1S/C18H19N/c1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16/h2-5,7-13,16,18-19H,6H2,1H3
InChIKeyQHGCSAVPORZSFY-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine (CID 145261419) is 2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine is Cc1ccc(C2=CC(C3C=CC=CC3)NC=C2)cc1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine?
The InChIKey is QHGCSAVPORZSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16/h2-5,7-13,16,18-19H,6H2,1H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine?
2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine has a molecular weight of 249.36 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-4-(4-methylphenyl)-1,2-dihydropyridine is sourced from PubChem (CID 145261419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).