3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine

C12H17N — CID 89017608

IUPAC3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine
SMILESC[C@H]1CCC=CC1C1C=CC=NC1
InChIInChI=1S/C12H17N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h3-4,6-8,10-12H,2,5,9H2,1H3/t10-,11?,12?/m0/s1
InChIKeySDALOSFAGGTAKY-UNXYVOJBSA-N
MW175.28 g/mol
LogP2.85
Rot. Bonds1

About 3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine

3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine (PubChem CID 89017608) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine
PubChem CID89017608
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine
SMILESC[C@H]1CCC=CC1C1C=CC=NC1
InChIInChI=1S/C12H17N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h3-4,6-8,10-12H,2,5,9H2,1H3/t10-,11?,12?/m0/s1
InChIKeySDALOSFAGGTAKY-UNXYVOJBSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine?
The IUPAC name of 3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine (CID 89017608) is 3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine.
What is the SMILES notation for 3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine?
The canonical SMILES for 3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine is C[C@H]1CCC=CC1C1C=CC=NC1.
What is the InChIKey of 3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine?
The InChIKey is SDALOSFAGGTAKY-UNXYVOJBSA-N. The full InChI is InChI=1S/C12H17N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h3-4,6-8,10-12H,2,5,9H2,1H3/t10-,11?,12?/m0/s1.
What are the key properties of 3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine?
3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine has a molecular weight of 175.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6S)-6-methylcyclohex-2-en-1-yl]-2,3-dihydropyridine is sourced from PubChem (CID 89017608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).