5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one

C13H23NO3 — CID 102300247

IUPAC5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one
SMILESC=CCCC1CCC(=O)N1C(OCC)OCC
InChIInChI=1S/C13H23NO3/c1-4-7-8-11-9-10-12(15)14(11)13(16-5-2)17-6-3/h4,11,13H,1,5-10H2,2-3H3
InChIKeyOFAJLDZZNZRVFE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.30
Rot. Bonds8

About 5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one

5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one (PubChem CID 102300247) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one
PubChem CID102300247
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one
SMILESC=CCCC1CCC(=O)N1C(OCC)OCC
InChIInChI=1S/C13H23NO3/c1-4-7-8-11-9-10-12(15)14(11)13(16-5-2)17-6-3/h4,11,13H,1,5-10H2,2-3H3
InChIKeyOFAJLDZZNZRVFE-UHFFFAOYSA-N
XLogP2.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-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

Related Compounds

1-(Diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one
CID 102300248
6-But-3-enyl-1-(diethoxymethyl)piperidin-2-one
CID 102300249
1-(Diethoxymethyl)-6-pent-4-enylpiperidin-2-one
CID 102300250
methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate
CID 11217830
4-But-3-enyl-1-(diethoxymethyl)azetidin-2-one
CID 102300246

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one?
The IUPAC name of 5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one (CID 102300247) is 5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one?
The canonical SMILES for 5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one is C=CCCC1CCC(=O)N1C(OCC)OCC.
What is the InChIKey of 5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one?
The InChIKey is OFAJLDZZNZRVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-7-8-11-9-10-12(15)14(11)13(16-5-2)17-6-3/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of 5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one?
5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 102300247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).