5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine

C11H17N — CID 123888698

IUPAC5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine
SMILESC=C1CCCN=C1CCC=CC
InChIInChI=1S/C11H17N/c1-3-4-5-8-11-10(2)7-6-9-12-11/h3-4H,2,5-9H2,1H3
InChIKeyRISUXQAZTDHAEC-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.13
Rot. Bonds3

About 5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine

5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine (PubChem CID 123888698) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine
PubChem CID123888698
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine
SMILESC=C1CCCN=C1CCC=CC
InChIInChI=1S/C11H17N/c1-3-4-5-8-11-10(2)7-6-9-12-11/h3-4H,2,5-9H2,1H3
InChIKeyRISUXQAZTDHAEC-UHFFFAOYSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(3,4,5,6-Tetrahydropyridyl))-1,3-pentadiene
CID 6444364
Lanopylin B1
CID 10087332
6-Hepta-1,3,5-trienyl-2,3,4,5-tetrahydropyridine
CID 442650
Nigrifactin
CID 5281688
CID 6445873
CID 6445873
4-Heptadecylidene-5-methyl-3,4-dihydro-2H-pyrrole
CID 71374074
2-(1-Propenyl)-delta1-piperideine
CID 56972723
Lanopylin B2
CID 11279421
Lanopylin A2
CID 11427950
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
CID 72781473
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine (CID 123888698) is 5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine is C=C1CCCN=C1CCC=CC.
What is the InChIKey of 5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine?
The InChIKey is RISUXQAZTDHAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-4-5-8-11-10(2)7-6-9-12-11/h3-4H,2,5-9H2,1H3.
What are the key properties of 5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine?
5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine has a molecular weight of 163.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-6-pent-3-enyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 123888698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).