1-butyl-4-inden-1-ylidenepyridine

C18H19N — CID 91539953

IUPAC1-butyl-4-inden-1-ylidenepyridine
SMILESCCCCN1C=CC(=C2C=Cc3ccccc32)C=C1
InChIInChI=1S/C18H19N/c1-2-3-12-19-13-10-16(11-14-19)18-9-8-15-6-4-5-7-17(15)18/h4-11,13-14H,2-3,12H2,1H3
InChIKeyYHLNFKNPAOLGMU-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.61
Rot. Bonds3

About 1-butyl-4-inden-1-ylidenepyridine

1-butyl-4-inden-1-ylidenepyridine (PubChem CID 91539953) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-butyl-4-inden-1-ylidenepyridine.

Molecular Properties

Compound Name1-butyl-4-inden-1-ylidenepyridine
PubChem CID91539953
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1-butyl-4-inden-1-ylidenepyridine
SMILESCCCCN1C=CC(=C2C=Cc3ccccc32)C=C1
InChIInChI=1S/C18H19N/c1-2-3-12-19-13-10-16(11-14-19)18-9-8-15-6-4-5-7-17(15)18/h4-11,13-14H,2-3,12H2,1H3
InChIKeyYHLNFKNPAOLGMU-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-inden-1-ylidenepyridine?
The IUPAC name of 1-butyl-4-inden-1-ylidenepyridine (CID 91539953) is 1-butyl-4-inden-1-ylidenepyridine.
What is the SMILES notation for 1-butyl-4-inden-1-ylidenepyridine?
The canonical SMILES for 1-butyl-4-inden-1-ylidenepyridine is CCCCN1C=CC(=C2C=Cc3ccccc32)C=C1.
What is the InChIKey of 1-butyl-4-inden-1-ylidenepyridine?
The InChIKey is YHLNFKNPAOLGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-3-12-19-13-10-16(11-14-19)18-9-8-15-6-4-5-7-17(15)18/h4-11,13-14H,2-3,12H2,1H3.
What are the key properties of 1-butyl-4-inden-1-ylidenepyridine?
1-butyl-4-inden-1-ylidenepyridine has a molecular weight of 249.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-inden-1-ylidenepyridine is sourced from PubChem (CID 91539953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).