5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine

C14H19N — CID 143703309

IUPAC5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine
SMILESCC1CC=C(/C=C\[C@@H]2CC=CCC2)C=N1
InChIInChI=1S/C14H19N/c1-12-7-8-14(11-15-12)10-9-13-5-3-2-4-6-13/h2-3,8-13H,4-7H2,1H3/b10-9-/t12?,13-/m1/s1
InChIKeyLRMZYVQCVIVJKH-KGDVPDOGSA-N
MW201.31 g/mol
LogP3.69
Rot. Bonds2

About 5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine

5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine (PubChem CID 143703309) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine
PubChem CID143703309
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine
SMILESCC1CC=C(/C=C\[C@@H]2CC=CCC2)C=N1
InChIInChI=1S/C14H19N/c1-12-7-8-14(11-15-12)10-9-13-5-3-2-4-6-13/h2-3,8-13H,4-7H2,1H3/b10-9-/t12?,13-/m1/s1
InChIKeyLRMZYVQCVIVJKH-KGDVPDOGSA-N
XLogP3.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.69
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 5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine?
The IUPAC name of 5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine (CID 143703309) is 5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for 5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine?
The canonical SMILES for 5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine is CC1CC=C(/C=C\[C@@H]2CC=CCC2)C=N1.
What is the InChIKey of 5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine?
The InChIKey is LRMZYVQCVIVJKH-KGDVPDOGSA-N. The full InChI is InChI=1S/C14H19N/c1-12-7-8-14(11-15-12)10-9-13-5-3-2-4-6-13/h2-3,8-13H,4-7H2,1H3/b10-9-/t12?,13-/m1/s1.
What are the key properties of 5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine?
5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine has a molecular weight of 201.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[(1S)-cyclohex-3-en-1-yl]ethenyl]-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 143703309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).