2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine

C12H17N — CID 143683325

IUPAC2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine
SMILESCC1C=CC(C2CC=CC=N2)CC1
InChIInChI=1S/C12H17N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h2-3,5,7,9-12H,4,6,8H2,1H3
InChIKeyDZQBMINYUCNFTB-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.99
Rot. Bonds1

About 2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine

2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine (PubChem CID 143683325) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine
PubChem CID143683325
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine
SMILESCC1C=CC(C2CC=CC=N2)CC1
InChIInChI=1S/C12H17N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h2-3,5,7,9-12H,4,6,8H2,1H3
InChIKeyDZQBMINYUCNFTB-UHFFFAOYSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
4-Tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine
CID 71096378
4-[(2-fluoro-5-prop-2-enylcyclohexa-2,4-dien-1-yl)methyl]-3-methyl-2-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyridine
CID 134299385
1-Azaspiro[5.5]undeca-1,3-diene
CID 90773483
(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline
CID 164667482
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
4a,5,6,7,8,8a-Hexahydroquinoline
CID 20587581
N-cyclohexyl-1-[(4Z)-cyclooct-4-en-1-yl]methanimine
CID 23391679
N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
CID 23391680
2-Cycloheptyl-2,5-dihydropyridine
CID 54266406
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine?
The IUPAC name of 2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine (CID 143683325) is 2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine.
What is the SMILES notation for 2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine?
The canonical SMILES for 2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine is CC1C=CC(C2CC=CC=N2)CC1.
What is the InChIKey of 2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine?
The InChIKey is DZQBMINYUCNFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12/h2-3,5,7,9-12H,4,6,8H2,1H3.
What are the key properties of 2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine?
2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine has a molecular weight of 175.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-2-en-1-yl)-2,3-dihydropyridine is sourced from PubChem (CID 143683325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).