1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one

C15H23NO2 — CID 67306783

IUPAC1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one
SMILESCCCCCOc1ccn(CC=C(C)C)c(=O)c1
InChIInChI=1S/C15H23NO2/c1-4-5-6-11-18-14-8-10-16(15(17)12-14)9-7-13(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyLMZCDWMQSZIAEE-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.38
Rot. Bonds7

About 1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one

1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one (PubChem CID 67306783) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one
PubChem CID67306783
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one
SMILESCCCCCOc1ccn(CC=C(C)C)c(=O)c1
InChIInChI=1S/C15H23NO2/c1-4-5-6-11-18-14-8-10-16(15(17)12-14)9-7-13(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyLMZCDWMQSZIAEE-UHFFFAOYSA-N
XLogP3.38
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one 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 1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one?
The IUPAC name of 1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one (CID 67306783) is 1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one?
The canonical SMILES for 1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one is CCCCCOc1ccn(CC=C(C)C)c(=O)c1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one?
The InChIKey is LMZCDWMQSZIAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-6-11-18-14-8-10-16(15(17)12-14)9-7-13(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one?
1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one has a molecular weight of 249.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-4-pentoxypyridin-2-one is sourced from PubChem (CID 67306783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).