4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one

C13H21NO2 — CID 168685200

IUPAC4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCC2CCOCC2)C1
InChIInChI=1S/C13H21NO2/c1-2-11-9-13(15)14(10-11)6-3-12-4-7-16-8-5-12/h2,11-12H,1,3-10H2
InChIKeyWJCPILVQYYUOTO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.84
Rot. Bonds4

About 4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one

4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one (PubChem CID 168685200) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one
PubChem CID168685200
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CCC2CCOCC2)C1
InChIInChI=1S/C13H21NO2/c1-2-11-9-13(15)14(10-11)6-3-12-4-7-16-8-5-12/h2,11-12H,1,3-10H2
InChIKeyWJCPILVQYYUOTO-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168685224
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
4-ethenyl-1-(3-morpholin-4-ylbutyl)pyrrolidin-2-one
CID 168683531
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
1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
4-ethenyl-1-[4-(4-methylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 168684281
1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
CID 22035597
4-ethenyl-1-[2-(2-prop-2-ynoxyethoxy)ethyl]pyrrolidin-2-one
CID 168683838
4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
CID 168685338
4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one
CID 168685510

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one (CID 168685200) is 4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one is C=CC1CC(=O)N(CCC2CCOCC2)C1.
What is the InChIKey of 4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one?
The InChIKey is WJCPILVQYYUOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-11-9-13(15)14(10-11)6-3-12-4-7-16-8-5-12/h2,11-12H,1,3-10H2.
What are the key properties of 4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one?
4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[2-(oxan-4-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168685200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).