4-hexylidene-2,3-dihydro-1H-pyridine

C11H19N — CID 67667843

IUPAC4-hexylidene-2,3-dihydro-1H-pyridine
SMILESCCCCCC=C1C=CNCC1
InChIInChI=1S/C11H19N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h6-7,9,12H,2-5,8,10H2,1H3
InChIKeyZEZJMARGBURRRP-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.00
Rot. Bonds4

About 4-hexylidene-2,3-dihydro-1H-pyridine

4-hexylidene-2,3-dihydro-1H-pyridine (PubChem CID 67667843) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-hexylidene-2,3-dihydro-1H-pyridine.

Molecular Properties

Compound Name4-hexylidene-2,3-dihydro-1H-pyridine
PubChem CID67667843
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-hexylidene-2,3-dihydro-1H-pyridine
SMILESCCCCCC=C1C=CNCC1
InChIInChI=1S/C11H19N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h6-7,9,12H,2-5,8,10H2,1H3
InChIKeyZEZJMARGBURRRP-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hexylidene-2,3-dihydro-1H-pyridine?
The IUPAC name of 4-hexylidene-2,3-dihydro-1H-pyridine (CID 67667843) is 4-hexylidene-2,3-dihydro-1H-pyridine.
What is the SMILES notation for 4-hexylidene-2,3-dihydro-1H-pyridine?
The canonical SMILES for 4-hexylidene-2,3-dihydro-1H-pyridine is CCCCCC=C1C=CNCC1.
What is the InChIKey of 4-hexylidene-2,3-dihydro-1H-pyridine?
The InChIKey is ZEZJMARGBURRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-3-4-5-6-11-7-9-12-10-8-11/h6-7,9,12H,2-5,8,10H2,1H3.
What are the key properties of 4-hexylidene-2,3-dihydro-1H-pyridine?
4-hexylidene-2,3-dihydro-1H-pyridine has a molecular weight of 165.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexylidene-2,3-dihydro-1H-pyridine is sourced from PubChem (CID 67667843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).