1-cyclopropyl-3-methoxy-2H-pyrrol-5-one

C8H11NO2 — CID 67487108

IUPAC1-cyclopropyl-3-methoxy-2H-pyrrol-5-one
SMILESCOC1=CC(=O)N(C2CC2)C1
InChIInChI=1S/C8H11NO2/c1-11-7-4-8(10)9(5-7)6-2-3-6/h4,6H,2-3,5H2,1H3
InChIKeyUUMPYORCDLKTOB-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.52
Rot. Bonds2

About 1-cyclopropyl-3-methoxy-2H-pyrrol-5-one

1-cyclopropyl-3-methoxy-2H-pyrrol-5-one (PubChem CID 67487108) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-cyclopropyl-3-methoxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclopropyl-3-methoxy-2H-pyrrol-5-one
PubChem CID67487108
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-cyclopropyl-3-methoxy-2H-pyrrol-5-one
SMILESCOC1=CC(=O)N(C2CC2)C1
InChIInChI=1S/C8H11NO2/c1-11-7-4-8(10)9(5-7)6-2-3-6/h4,6H,2-3,5H2,1H3
InChIKeyUUMPYORCDLKTOB-UHFFFAOYSA-N
XLogP0.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-methoxy-2H-pyrrol-5-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 1-cyclopropyl-3-methoxy-2H-pyrrol-5-one?
The IUPAC name of 1-cyclopropyl-3-methoxy-2H-pyrrol-5-one (CID 67487108) is 1-cyclopropyl-3-methoxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclopropyl-3-methoxy-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclopropyl-3-methoxy-2H-pyrrol-5-one is COC1=CC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-methoxy-2H-pyrrol-5-one?
The InChIKey is UUMPYORCDLKTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-11-7-4-8(10)9(5-7)6-2-3-6/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-cyclopropyl-3-methoxy-2H-pyrrol-5-one?
1-cyclopropyl-3-methoxy-2H-pyrrol-5-one has a molecular weight of 153.18 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methoxy-2H-pyrrol-5-one is sourced from PubChem (CID 67487108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).