2-butylidene-3-pent-3-enylidenepyridine

C14H19N — CID 123567198

IUPAC2-butylidene-3-pent-3-enylidenepyridine
SMILESCC=CCC=c1cccnc1=CCCC
InChIInChI=1S/C14H19N/c1-3-5-7-9-13-10-8-12-15-14(13)11-6-4-2/h3,5,8-12H,4,6-7H2,1-2H3
InChIKeyHFUFAKZZKPOBCW-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.41
Rot. Bonds4

About 2-butylidene-3-pent-3-enylidenepyridine

2-butylidene-3-pent-3-enylidenepyridine (PubChem CID 123567198) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-butylidene-3-pent-3-enylidenepyridine.

Molecular Properties

Compound Name2-butylidene-3-pent-3-enylidenepyridine
PubChem CID123567198
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-butylidene-3-pent-3-enylidenepyridine
SMILESCC=CCC=c1cccnc1=CCCC
InChIInChI=1S/C14H19N/c1-3-5-7-9-13-10-8-12-15-14(13)11-6-4-2/h3,5,8-12H,4,6-7H2,1-2H3
InChIKeyHFUFAKZZKPOBCW-UHFFFAOYSA-N
XLogP2.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.41
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

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Diethylideneaniline
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2,5-Dimethylene-2,5-dihydropyridine
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Cyclopentindole
CID 88133445
7,7-Dimethylquinoline
CID 129752244
Bis-propylideneaniline
CID 129791915
(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552

Frequently Asked Questions

What is the IUPAC name of 2-butylidene-3-pent-3-enylidenepyridine?
The IUPAC name of 2-butylidene-3-pent-3-enylidenepyridine (CID 123567198) is 2-butylidene-3-pent-3-enylidenepyridine.
What is the SMILES notation for 2-butylidene-3-pent-3-enylidenepyridine?
The canonical SMILES for 2-butylidene-3-pent-3-enylidenepyridine is CC=CCC=c1cccnc1=CCCC.
What is the InChIKey of 2-butylidene-3-pent-3-enylidenepyridine?
The InChIKey is HFUFAKZZKPOBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-3-5-7-9-13-10-8-12-15-14(13)11-6-4-2/h3,5,8-12H,4,6-7H2,1-2H3.
What are the key properties of 2-butylidene-3-pent-3-enylidenepyridine?
2-butylidene-3-pent-3-enylidenepyridine has a molecular weight of 201.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylidene-3-pent-3-enylidenepyridine is sourced from PubChem (CID 123567198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).