1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine

C12H19N — CID 130841167

IUPAC1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(C2C=CCCC2)C1
InChIInChI=1S/C12H19N/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h3,6-7,12H,2,4-5,8-10H2,1H3
InChIKeyMYDIIJDAAINPEB-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.75
Rot. Bonds1

About 1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine

1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine (PubChem CID 130841167) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine
PubChem CID130841167
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(C2C=CCCC2)C1
InChIInChI=1S/C12H19N/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h3,6-7,12H,2,4-5,8-10H2,1H3
InChIKeyMYDIIJDAAINPEB-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine 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 1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine (CID 130841167) is 1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine is CC1=CCCN(C2C=CCCC2)C1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is MYDIIJDAAINPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h3,6-7,12H,2,4-5,8-10H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine?
1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 177.29 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-5-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130841167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).