2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine

C12H18ClN — CID 143619238

IUPAC2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1=NC(C2C=CC(Cl)CC2)CCC1
InChIInChI=1S/C12H18ClN/c1-9-3-2-4-12(14-9)10-5-7-11(13)8-6-10/h5,7,10-12H,2-4,6,8H2,1H3
InChIKeyRETBLMCBFOCWQK-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.57
Rot. Bonds1

About 2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine

2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 143619238) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine
PubChem CID143619238
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1=NC(C2C=CC(Cl)CC2)CCC1
InChIInChI=1S/C12H18ClN/c1-9-3-2-4-12(14-9)10-5-7-11(13)8-6-10/h5,7,10-12H,2-4,6,8H2,1H3
InChIKeyRETBLMCBFOCWQK-UHFFFAOYSA-N
XLogP3.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorocyclohex-3-en-1-yl)-3-(5-propan-2-yl-4-prop-1-enylcyclohex-2-en-1-yl)-3,4-dihydro-2H-pyrrole
CID 123482605
(9R,9aS)-2,9-dichloro-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine
CID 167174171
7-Chloro-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline;ethane
CID 170974364

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine (CID 143619238) is 2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine is CC1=NC(C2C=CC(Cl)CC2)CCC1.
What is the InChIKey of 2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is RETBLMCBFOCWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-9-3-2-4-12(14-9)10-5-7-11(13)8-6-10/h5,7,10-12H,2-4,6,8H2,1H3.
What are the key properties of 2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine?
2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 211.74 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorocyclohex-2-en-1-yl)-6-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 143619238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).