4-cyclohex-2-en-1-ylpyridine

C11H13N — CID 12718499

IUPAC4-cyclohex-2-en-1-ylpyridine
SMILESC1=CC(c2ccncc2)CCC1
InChIInChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h2,4,6-10H,1,3,5H2
InChIKeyPDQJCKOMAXMYBZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.91
Rot. Bonds1

About 4-cyclohex-2-en-1-ylpyridine

4-cyclohex-2-en-1-ylpyridine (PubChem CID 12718499) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-ylpyridine.

Molecular Properties

Compound Name4-cyclohex-2-en-1-ylpyridine
PubChem CID12718499
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name4-cyclohex-2-en-1-ylpyridine
SMILESC1=CC(c2ccncc2)CCC1
InChIInChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h2,4,6-10H,1,3,5H2
InChIKeyPDQJCKOMAXMYBZ-UHFFFAOYSA-N
XLogP2.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.91
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 4-cyclohex-2-en-1-ylpyridine?
The IUPAC name of 4-cyclohex-2-en-1-ylpyridine (CID 12718499) is 4-cyclohex-2-en-1-ylpyridine.
What is the SMILES notation for 4-cyclohex-2-en-1-ylpyridine?
The canonical SMILES for 4-cyclohex-2-en-1-ylpyridine is C1=CC(c2ccncc2)CCC1.
What is the InChIKey of 4-cyclohex-2-en-1-ylpyridine?
The InChIKey is PDQJCKOMAXMYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h2,4,6-10H,1,3,5H2.
What are the key properties of 4-cyclohex-2-en-1-ylpyridine?
4-cyclohex-2-en-1-ylpyridine has a molecular weight of 159.23 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-ylpyridine is sourced from PubChem (CID 12718499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).