1-methyl-5-oxopyrrolidine-2-carbaldehyde

C6H9NO2 — CID 19089740

IUPAC1-methyl-5-oxopyrrolidine-2-carbaldehyde
SMILESCN1C(=O)CCC1C=O
InChIInChI=1S/C6H9NO2/c1-7-5(4-8)2-3-6(7)9/h4-5H,2-3H2,1H3
InChIKeyOTKGOSOTGGCFER-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.19
Rot. Bonds1

About 1-methyl-5-oxopyrrolidine-2-carbaldehyde

1-methyl-5-oxopyrrolidine-2-carbaldehyde (PubChem CID 19089740) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-methyl-5-oxopyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-5-oxopyrrolidine-2-carbaldehyde
PubChem CID19089740
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-methyl-5-oxopyrrolidine-2-carbaldehyde
SMILESCN1C(=O)CCC1C=O
InChIInChI=1S/C6H9NO2/c1-7-5(4-8)2-3-6(7)9/h4-5H,2-3H2,1H3
InChIKeyOTKGOSOTGGCFER-UHFFFAOYSA-N
XLogP-0.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-5-oxopyrrolidine-2-carbaldehyde 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 1-methyl-5-oxopyrrolidine-2-carbaldehyde?
The IUPAC name of 1-methyl-5-oxopyrrolidine-2-carbaldehyde (CID 19089740) is 1-methyl-5-oxopyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-methyl-5-oxopyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-methyl-5-oxopyrrolidine-2-carbaldehyde is CN1C(=O)CCC1C=O.
What is the InChIKey of 1-methyl-5-oxopyrrolidine-2-carbaldehyde?
The InChIKey is OTKGOSOTGGCFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-7-5(4-8)2-3-6(7)9/h4-5H,2-3H2,1H3.
What are the key properties of 1-methyl-5-oxopyrrolidine-2-carbaldehyde?
1-methyl-5-oxopyrrolidine-2-carbaldehyde has a molecular weight of 127.14 g/mol, XLogP of -0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxopyrrolidine-2-carbaldehyde is sourced from PubChem (CID 19089740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).