4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one

C13H19NO3 — CID 168683838

IUPAC4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one
SMILESC#CCOCCOCCN1CC(C=C)CC1=O
InChIInChI=1S/C13H19NO3/c1-3-6-16-8-9-17-7-5-14-11-12(4-2)10-13(14)15/h1,4,12H,2,5-11H2
InChIKeyKYNPCAOKBHBPKI-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.69
Rot. Bonds8

About 4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one

4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one (PubChem CID 168683838) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one
PubChem CID168683838
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one
SMILESC#CCOCCOCCN1CC(C=C)CC1=O
InChIInChI=1S/C13H19NO3/c1-3-6-16-8-9-17-7-5-14-11-12(4-2)10-13(14)15/h1,4,12H,2,5-11H2
InChIKeyKYNPCAOKBHBPKI-UHFFFAOYSA-N
XLogP0.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.69
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]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

5-oxo-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710999
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168501623
4-ethenyl-1-hexylpyrrolidin-2-one
CID 168684076
4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168685234
4-ethenyl-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 168685210
4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168684281
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
4-ethynyl-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168501624
4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168685224
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168697250

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one (CID 168683838) is 4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one is C#CCOCCOCCN1CC(C=C)CC1=O.
What is the InChIKey of 4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one?
The InChIKey is KYNPCAOKBHBPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-6-16-8-9-17-7-5-14-11-12(4-2)10-13(14)15/h1,4,12H,2,5-11H2.
What are the key properties of 4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one?
4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168683838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).