5-oxopyrrolidine-2-carbaldehyde

C5H7NO2 — CID 3033056

IUPAC5-oxopyrrolidine-2-carbaldehyde
SMILESO=CC1CCC(=O)N1
InChIInChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3-4H,1-2H2,(H,6,8)
InChIKeyXBGYMVTXOUKXLG-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.54
Rot. Bonds1

About 5-oxopyrrolidine-2-carbaldehyde

5-oxopyrrolidine-2-carbaldehyde (PubChem CID 3033056) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-oxopyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name5-oxopyrrolidine-2-carbaldehyde
PubChem CID3033056
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name5-oxopyrrolidine-2-carbaldehyde
SMILESO=CC1CCC(=O)N1
InChIInChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3-4H,1-2H2,(H,6,8)
InChIKeyXBGYMVTXOUKXLG-UHFFFAOYSA-N
XLogP-0.54
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 ≤ 5-0.54
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 5-oxopyrrolidine-2-carbaldehyde?
The IUPAC name of 5-oxopyrrolidine-2-carbaldehyde (CID 3033056) is 5-oxopyrrolidine-2-carbaldehyde.
What is the SMILES notation for 5-oxopyrrolidine-2-carbaldehyde?
The canonical SMILES for 5-oxopyrrolidine-2-carbaldehyde is O=CC1CCC(=O)N1.
What is the InChIKey of 5-oxopyrrolidine-2-carbaldehyde?
The InChIKey is XBGYMVTXOUKXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3-4H,1-2H2,(H,6,8).
What are the key properties of 5-oxopyrrolidine-2-carbaldehyde?
5-oxopyrrolidine-2-carbaldehyde has a molecular weight of 113.12 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxopyrrolidine-2-carbaldehyde is sourced from PubChem (CID 3033056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).