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

C8H11NO3 — CID 54769338

IUPAC3-methoxy-1-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)N1CC(OC)=CC1=O
InChIInChI=1S/C8H11NO3/c1-3-7(10)9-5-6(12-2)4-8(9)11/h4H,3,5H2,1-2H3
InChIKeyHUJUWMZPTBRNDO-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.30
Rot. Bonds2

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

3-methoxy-1-propanoyl-2H-pyrrol-5-one (PubChem CID 54769338) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-methoxy-1-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-methoxy-1-propanoyl-2H-pyrrol-5-one
PubChem CID54769338
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-methoxy-1-propanoyl-2H-pyrrol-5-one
SMILESCCC(=O)N1CC(OC)=CC1=O
InChIInChI=1S/C8H11NO3/c1-3-7(10)9-5-6(12-2)4-8(9)11/h4H,3,5H2,1-2H3
InChIKeyHUJUWMZPTBRNDO-UHFFFAOYSA-N
XLogP0.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-propanoyl-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 3-methoxy-1-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 3-methoxy-1-propanoyl-2H-pyrrol-5-one (CID 54769338) is 3-methoxy-1-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-methoxy-1-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 3-methoxy-1-propanoyl-2H-pyrrol-5-one is CCC(=O)N1CC(OC)=CC1=O.
What is the InChIKey of 3-methoxy-1-propanoyl-2H-pyrrol-5-one?
The InChIKey is HUJUWMZPTBRNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-7(10)9-5-6(12-2)4-8(9)11/h4H,3,5H2,1-2H3.
What are the key properties of 3-methoxy-1-propanoyl-2H-pyrrol-5-one?
3-methoxy-1-propanoyl-2H-pyrrol-5-one has a molecular weight of 169.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 54769338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).