1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one

C14H25NO3 — CID 102300248

IUPAC1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCC1CCC(=O)N1C(OCC)OCC
InChIInChI=1S/C14H25NO3/c1-4-7-8-9-12-10-11-13(16)15(12)14(17-5-2)18-6-3/h4,12,14H,1,5-11H2,2-3H3
InChIKeyONZWXZHHUZRJSZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.69
Rot. Bonds9

About 1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one

1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one (PubChem CID 102300248) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one
PubChem CID102300248
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one
SMILESC=CCCCC1CCC(=O)N1C(OCC)OCC
InChIInChI=1S/C14H25NO3/c1-4-7-8-9-12-10-11-13(16)15(12)14(17-5-2)18-6-3/h4,12,14H,1,5-11H2,2-3H3
InChIKeyONZWXZHHUZRJSZ-UHFFFAOYSA-N
XLogP2.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-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

5-But-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one
CID 102300247
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

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one?
The IUPAC name of 1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one (CID 102300248) is 1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one.
What is the SMILES notation for 1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one?
The canonical SMILES for 1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one is C=CCCCC1CCC(=O)N1C(OCC)OCC.
What is the InChIKey of 1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one?
The InChIKey is ONZWXZHHUZRJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-7-8-9-12-10-11-13(16)15(12)14(17-5-2)18-6-3/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of 1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one?
1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one is sourced from PubChem (CID 102300248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).