6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine

C12H15N — CID 91311127

IUPAC6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine
SMILESCC1C=NC(C2=CC=CCC2)=CC1
InChIInChI=1S/C12H15N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-3,5,8-10H,4,6-7H2,1H3
InChIKeyILQLDGTZIQDMRM-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.26
Rot. Bonds1

About 6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine

6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine (PubChem CID 91311127) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine
PubChem CID91311127
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine
SMILESCC1C=NC(C2=CC=CCC2)=CC1
InChIInChI=1S/C12H15N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-3,5,8-10H,4,6-7H2,1H3
InChIKeyILQLDGTZIQDMRM-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine?
The IUPAC name of 6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine (CID 91311127) is 6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine is CC1C=NC(C2=CC=CCC2)=CC1.
What is the InChIKey of 6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine?
The InChIKey is ILQLDGTZIQDMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-3,5,8-10H,4,6-7H2,1H3.
What are the key properties of 6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine?
6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine has a molecular weight of 173.26 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 91311127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).