1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde

C9H15NO3 — CID 89260093

IUPAC1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde
SMILESCOCC(C)N1CC(C=O)CC1=O
InChIInChI=1S/C9H15NO3/c1-7(6-13-2)10-4-8(5-11)3-9(10)12/h5,7-8H,3-4,6H2,1-2H3
InChIKeyDNCUGFIQFNZLDS-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.07
Rot. Bonds4

About 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde

1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde (PubChem CID 89260093) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde
PubChem CID89260093
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde
SMILESCOCC(C)N1CC(C=O)CC1=O
InChIInChI=1S/C9H15NO3/c1-7(6-13-2)10-4-8(5-11)3-9(10)12/h5,7-8H,3-4,6H2,1-2H3
InChIKeyDNCUGFIQFNZLDS-UHFFFAOYSA-N
XLogP0.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-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-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde?
The IUPAC name of 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde (CID 89260093) is 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde is COCC(C)N1CC(C=O)CC1=O.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde?
The InChIKey is DNCUGFIQFNZLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(6-13-2)10-4-8(5-11)3-9(10)12/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde?
1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde has a molecular weight of 185.22 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carbaldehyde is sourced from PubChem (CID 89260093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).