2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine

C12H15N — CID 138467804

IUPAC2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine
SMILESCC1C=CC=NC1C1=CC=CCC1
InChIInChI=1S/C12H15N/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h2-3,5-7,9-10,12H,4,8H2,1H3
InChIKeyVEBPLENPFOIRES-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.91
Rot. Bonds1

About 2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine

2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine (PubChem CID 138467804) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine
PubChem CID138467804
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine
SMILESCC1C=CC=NC1C1=CC=CCC1
InChIInChI=1S/C12H15N/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h2-3,5-7,9-10,12H,4,8H2,1H3
InChIKeyVEBPLENPFOIRES-UHFFFAOYSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine (CID 138467804) is 2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine is CC1C=CC=NC1C1=CC=CCC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine?
The InChIKey is VEBPLENPFOIRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h2-3,5-7,9-10,12H,4,8H2,1H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine?
2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine has a molecular weight of 173.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-3-methyl-2,3-dihydropyridine is sourced from PubChem (CID 138467804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).