2-penta-1,4-dienylpyridine

C10H11N — CID 66927735

IUPAC2-penta-1,4-dienylpyridine
SMILESC=CCC=Cc1ccccn1
InChIInChI=1S/C10H11N/c1-2-3-4-7-10-8-5-6-9-11-10/h2,4-9H,1,3H2
InChIKeyFAQZGXTYDANFHD-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.67
Rot. Bonds3

About 2-penta-1,4-dienylpyridine

2-penta-1,4-dienylpyridine (PubChem CID 66927735) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-penta-1,4-dienylpyridine.

Molecular Properties

Compound Name2-penta-1,4-dienylpyridine
PubChem CID66927735
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-penta-1,4-dienylpyridine
SMILESC=CCC=Cc1ccccn1
InChIInChI=1S/C10H11N/c1-2-3-4-7-10-8-5-6-9-11-10/h2,4-9H,1,3H2
InChIKeyFAQZGXTYDANFHD-UHFFFAOYSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.67
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 2-penta-1,4-dienylpyridine?
The IUPAC name of 2-penta-1,4-dienylpyridine (CID 66927735) is 2-penta-1,4-dienylpyridine.
What is the SMILES notation for 2-penta-1,4-dienylpyridine?
The canonical SMILES for 2-penta-1,4-dienylpyridine is C=CCC=Cc1ccccn1.
What is the InChIKey of 2-penta-1,4-dienylpyridine?
The InChIKey is FAQZGXTYDANFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-3-4-7-10-8-5-6-9-11-10/h2,4-9H,1,3H2.
What are the key properties of 2-penta-1,4-dienylpyridine?
2-penta-1,4-dienylpyridine has a molecular weight of 145.20 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-penta-1,4-dienylpyridine is sourced from PubChem (CID 66927735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).