4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one

C8H13NO2 — CID 118203183

IUPAC4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one
SMILESC=CC1CNC(=O)C1CCO
InChIInChI=1S/C8H13NO2/c1-2-6-5-9-8(11)7(6)3-4-10/h2,6-7,10H,1,3-5H2,(H,9,11)
InChIKeyMPAAAJPQZRMTAN-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.08
Rot. Bonds3

About 4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one

4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one (PubChem CID 118203183) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one
PubChem CID118203183
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one
SMILESC=CC1CNC(=O)C1CCO
InChIInChI=1S/C8H13NO2/c1-2-6-5-9-8(11)7(6)3-4-10/h2,6-7,10H,1,3-5H2,(H,9,11)
InChIKeyMPAAAJPQZRMTAN-UHFFFAOYSA-N
XLogP-0.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one (CID 118203183) is 4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one is C=CC1CNC(=O)C1CCO.
What is the InChIKey of 4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one?
The InChIKey is MPAAAJPQZRMTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-6-5-9-8(11)7(6)3-4-10/h2,6-7,10H,1,3-5H2,(H,9,11).
What are the key properties of 4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one?
4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-(2-hydroxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 118203183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).