4-methyl-2-[(E)-pent-3-enyl]pyridine

C11H15N — CID 19593487

IUPAC4-methyl-2-[(E)-pent-3-enyl]pyridine
SMILESC/C=C/CCc1cc(C)ccn1
InChIInChI=1S/C11H15N/c1-3-4-5-6-11-9-10(2)7-8-12-11/h3-4,7-9H,5-6H2,1-2H3/b4-3+
InChIKeyBHRWUDYPLODHFU-ONEGZZNKSA-N
MW161.25 g/mol
LogP2.90
Rot. Bonds3

About 4-methyl-2-[(E)-pent-3-enyl]pyridine

4-methyl-2-[(E)-pent-3-enyl]pyridine (PubChem CID 19593487) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4-methyl-2-[(E)-pent-3-enyl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[(E)-pent-3-enyl]pyridine
PubChem CID19593487
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4-methyl-2-[(E)-pent-3-enyl]pyridine
SMILESC/C=C/CCc1cc(C)ccn1
InChIInChI=1S/C11H15N/c1-3-4-5-6-11-9-10(2)7-8-12-11/h3-4,7-9H,5-6H2,1-2H3/b4-3+
InChIKeyBHRWUDYPLODHFU-ONEGZZNKSA-N
XLogP2.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[(E)-pent-3-enyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-pent-3-enyl]pyridine?
The IUPAC name of 4-methyl-2-[(E)-pent-3-enyl]pyridine (CID 19593487) is 4-methyl-2-[(E)-pent-3-enyl]pyridine.
What is the SMILES notation for 4-methyl-2-[(E)-pent-3-enyl]pyridine?
The canonical SMILES for 4-methyl-2-[(E)-pent-3-enyl]pyridine is C/C=C/CCc1cc(C)ccn1.
What is the InChIKey of 4-methyl-2-[(E)-pent-3-enyl]pyridine?
The InChIKey is BHRWUDYPLODHFU-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15N/c1-3-4-5-6-11-9-10(2)7-8-12-11/h3-4,7-9H,5-6H2,1-2H3/b4-3+.
What are the key properties of 4-methyl-2-[(E)-pent-3-enyl]pyridine?
4-methyl-2-[(E)-pent-3-enyl]pyridine has a molecular weight of 161.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-pent-3-enyl]pyridine is sourced from PubChem (CID 19593487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).