5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine

C12H15N — CID 89327957

IUPAC5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine
SMILESCC1=CC=C(C2=CN=CCC2)CC1
InChIInChI=1S/C12H15N/c1-10-4-6-11(7-5-10)12-3-2-8-13-9-12/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyPYCLUDVZYTZJCJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.40
Rot. Bonds1

About 5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine

5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine (PubChem CID 89327957) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine
PubChem CID89327957
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine
SMILESCC1=CC=C(C2=CN=CCC2)CC1
InChIInChI=1S/C12H15N/c1-10-4-6-11(7-5-10)12-3-2-8-13-9-12/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyPYCLUDVZYTZJCJ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-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 5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine?
The IUPAC name of 5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine (CID 89327957) is 5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine.
What is the SMILES notation for 5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine?
The canonical SMILES for 5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine is CC1=CC=C(C2=CN=CCC2)CC1.
What is the InChIKey of 5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine?
The InChIKey is PYCLUDVZYTZJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-10-4-6-11(7-5-10)12-3-2-8-13-9-12/h4,6,8-9H,2-3,5,7H2,1H3.
What are the key properties of 5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine?
5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine has a molecular weight of 173.26 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine is sourced from PubChem (CID 89327957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).