4-but-3-enylpyridine-3-carbaldehyde

C10H11NO — CID 53309054

IUPAC4-but-3-enylpyridine-3-carbaldehyde
SMILESC=CCCc1ccncc1C=O
InChIInChI=1S/C10H11NO/c1-2-3-4-9-5-6-11-7-10(9)8-12/h2,5-8H,1,3-4H2
InChIKeyBOEOVUVACCZZHS-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.01
Rot. Bonds4

About 4-but-3-enylpyridine-3-carbaldehyde

4-but-3-enylpyridine-3-carbaldehyde (PubChem CID 53309054) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-but-3-enylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-but-3-enylpyridine-3-carbaldehyde
PubChem CID53309054
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4-but-3-enylpyridine-3-carbaldehyde
SMILESC=CCCc1ccncc1C=O
InChIInChI=1S/C10H11NO/c1-2-3-4-9-5-6-11-7-10(9)8-12/h2,5-8H,1,3-4H2
InChIKeyBOEOVUVACCZZHS-UHFFFAOYSA-N
XLogP2.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enylpyridine-3-carbaldehyde?
The IUPAC name of 4-but-3-enylpyridine-3-carbaldehyde (CID 53309054) is 4-but-3-enylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-but-3-enylpyridine-3-carbaldehyde?
The canonical SMILES for 4-but-3-enylpyridine-3-carbaldehyde is C=CCCc1ccncc1C=O.
What is the InChIKey of 4-but-3-enylpyridine-3-carbaldehyde?
The InChIKey is BOEOVUVACCZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-3-4-9-5-6-11-7-10(9)8-12/h2,5-8H,1,3-4H2.
What are the key properties of 4-but-3-enylpyridine-3-carbaldehyde?
4-but-3-enylpyridine-3-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enylpyridine-3-carbaldehyde is sourced from PubChem (CID 53309054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).