(3S)-5-oxopyrrolidine-3-carbaldehyde

C5H7NO2 — CID 55299585

IUPAC(3S)-5-oxopyrrolidine-3-carbaldehyde
SMILESO=C[C@@H]1CNC(=O)C1
InChIInChI=1S/C5H7NO2/c7-3-4-1-5(8)6-2-4/h3-4H,1-2H2,(H,6,8)/t4-/m0/s1
InChIKeyUCCVKBRTSQNCKG-BYPYZUCNSA-N
MW113.12 g/mol
LogP-0.68
Rot. Bonds1

About (3S)-5-oxopyrrolidine-3-carbaldehyde

(3S)-5-oxopyrrolidine-3-carbaldehyde (PubChem CID 55299585) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (3S)-5-oxopyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name(3S)-5-oxopyrrolidine-3-carbaldehyde
PubChem CID55299585
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(3S)-5-oxopyrrolidine-3-carbaldehyde
SMILESO=C[C@@H]1CNC(=O)C1
InChIInChI=1S/C5H7NO2/c7-3-4-1-5(8)6-2-4/h3-4H,1-2H2,(H,6,8)/t4-/m0/s1
InChIKeyUCCVKBRTSQNCKG-BYPYZUCNSA-N
XLogP-0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxopyrrolidine-3-carbaldehyde?
The IUPAC name of (3S)-5-oxopyrrolidine-3-carbaldehyde (CID 55299585) is (3S)-5-oxopyrrolidine-3-carbaldehyde.
What is the SMILES notation for (3S)-5-oxopyrrolidine-3-carbaldehyde?
The canonical SMILES for (3S)-5-oxopyrrolidine-3-carbaldehyde is O=C[C@@H]1CNC(=O)C1.
What is the InChIKey of (3S)-5-oxopyrrolidine-3-carbaldehyde?
The InChIKey is UCCVKBRTSQNCKG-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7NO2/c7-3-4-1-5(8)6-2-4/h3-4H,1-2H2,(H,6,8)/t4-/m0/s1.
What are the key properties of (3S)-5-oxopyrrolidine-3-carbaldehyde?
(3S)-5-oxopyrrolidine-3-carbaldehyde has a molecular weight of 113.12 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxopyrrolidine-3-carbaldehyde is sourced from PubChem (CID 55299585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).