4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one

C14H24N2O2 — CID 168683531

IUPAC4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCC(C)N2CCOCC2)C1
InChIInChI=1S/C14H24N2O2/c1-3-13-10-14(17)16(11-13)5-4-12(2)15-6-8-18-9-7-15/h3,12-13H,1,4-11H2,2H3
InChIKeyHMKWELOIARDMBO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.13
Rot. Bonds5

About 4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one

4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one (PubChem CID 168683531) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one
PubChem CID168683531
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCC(C)N2CCOCC2)C1
InChIInChI=1S/C14H24N2O2/c1-3-13-10-14(17)16(11-13)5-4-12(2)15-6-8-18-9-7-15/h3,12-13H,1,4-11H2,2H3
InChIKeyHMKWELOIARDMBO-UHFFFAOYSA-N
XLogP1.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethenyl-1-(3-morpholin-4-ylbutyl)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

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one (CID 168683531) is 4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one is C=CC1CC(=O)N(CCC(C)N2CCOCC2)C1.
What is the InChIKey of 4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one?
The InChIKey is HMKWELOIARDMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-13-10-14(17)16(11-13)5-4-12(2)15-6-8-18-9-7-15/h3,12-13H,1,4-11H2,2H3.
What are the key properties of 4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one?
4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one is sourced from PubChem (CID 168683531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).