5-but-3-enyl-4-methyl-2,3-dihydropyridine

C10H15N — CID 70267509

IUPAC5-but-3-enyl-4-methyl-2,3-dihydropyridine
SMILESC=CCCC1=C(C)CCN=C1
InChIInChI=1S/C10H15N/c1-3-4-5-10-8-11-7-6-9(10)2/h3,8H,1,4-7H2,2H3
InChIKeyGVZZOHWQHXZHAV-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.74
Rot. Bonds3

About 5-but-3-enyl-4-methyl-2,3-dihydropyridine

5-but-3-enyl-4-methyl-2,3-dihydropyridine (PubChem CID 70267509) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 5-but-3-enyl-4-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-but-3-enyl-4-methyl-2,3-dihydropyridine
PubChem CID70267509
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name5-but-3-enyl-4-methyl-2,3-dihydropyridine
SMILESC=CCCC1=C(C)CCN=C1
InChIInChI=1S/C10H15N/c1-3-4-5-10-8-11-7-6-9(10)2/h3,8H,1,4-7H2,2H3
InChIKeyGVZZOHWQHXZHAV-UHFFFAOYSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-but-3-enyl-4-methyl-2,3-dihydropyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
2-(1-Fluoroethyl)-5-methyl-2,3-dihydropyridine
CID 143887758
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
CID 164673418
CID 164673418
(E)-N,2-dimethylpent-2-en-1-imine
CID 12475952
2,5-Dimethyl-2,3-dihydropyridine
CID 20872587
2,4-Dimethyl-2,3-dihydropyridine
CID 53803640
5-Methyl-2,3-dihydropyridine
CID 53854191

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-4-methyl-2,3-dihydropyridine?
The IUPAC name of 5-but-3-enyl-4-methyl-2,3-dihydropyridine (CID 70267509) is 5-but-3-enyl-4-methyl-2,3-dihydropyridine.
What is the SMILES notation for 5-but-3-enyl-4-methyl-2,3-dihydropyridine?
The canonical SMILES for 5-but-3-enyl-4-methyl-2,3-dihydropyridine is C=CCCC1=C(C)CCN=C1.
What is the InChIKey of 5-but-3-enyl-4-methyl-2,3-dihydropyridine?
The InChIKey is GVZZOHWQHXZHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-4-5-10-8-11-7-6-9(10)2/h3,8H,1,4-7H2,2H3.
What are the key properties of 5-but-3-enyl-4-methyl-2,3-dihydropyridine?
5-but-3-enyl-4-methyl-2,3-dihydropyridine has a molecular weight of 149.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-4-methyl-2,3-dihydropyridine is sourced from PubChem (CID 70267509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).