(5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one

C6H9NO2 — CID 142013382

IUPAC(5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](/C=C\O)N1
InChIInChI=1S/C6H9NO2/c8-4-3-5-1-2-6(9)7-5/h3-5,8H,1-2H2,(H,7,9)/b4-3-/t5-/m0/s1
InChIKeyRDKFFAFHVBBRCW-XUELKZDXSA-N
MW127.14 g/mol
LogP0.34
Rot. Bonds1

About (5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one

(5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one (PubChem CID 142013382) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one
PubChem CID142013382
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](/C=C\O)N1
InChIInChI=1S/C6H9NO2/c8-4-3-5-1-2-6(9)7-5/h3-5,8H,1-2H2,(H,7,9)/b4-3-/t5-/m0/s1
InChIKeyRDKFFAFHVBBRCW-XUELKZDXSA-N
XLogP0.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (5S)-5-[(Z)-2-hydroxyethenyl]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 (5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one (CID 142013382) is (5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one is O=C1CC[C@@H](/C=C\O)N1.
What is the InChIKey of (5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one?
The InChIKey is RDKFFAFHVBBRCW-XUELKZDXSA-N. The full InChI is InChI=1S/C6H9NO2/c8-4-3-5-1-2-6(9)7-5/h3-5,8H,1-2H2,(H,7,9)/b4-3-/t5-/m0/s1.
What are the key properties of (5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one?
(5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one is sourced from PubChem (CID 142013382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).