2-ethoxy-1,2-dihydropyrrol-5-one

C6H9NO2 — CID 13328432

IUPAC2-ethoxy-1,2-dihydropyrrol-5-one
SMILESCCOC1C=CC(=O)N1
InChIInChI=1S/C6H9NO2/c1-2-9-6-4-3-5(8)7-6/h3-4,6H,2H2,1H3,(H,7,8)
InChIKeySFHSVISPFNDPKR-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.04
Rot. Bonds2

About 2-ethoxy-1,2-dihydropyrrol-5-one

2-ethoxy-1,2-dihydropyrrol-5-one (PubChem CID 13328432) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-ethoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-ethoxy-1,2-dihydropyrrol-5-one
PubChem CID13328432
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-ethoxy-1,2-dihydropyrrol-5-one
SMILESCCOC1C=CC(=O)N1
InChIInChI=1S/C6H9NO2/c1-2-9-6-4-3-5(8)7-6/h3-4,6H,2H2,1H3,(H,7,8)
InChIKeySFHSVISPFNDPKR-UHFFFAOYSA-N
XLogP0.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-1,2-dihydropyrrol-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 2-ethoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-ethoxy-1,2-dihydropyrrol-5-one (CID 13328432) is 2-ethoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-ethoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-ethoxy-1,2-dihydropyrrol-5-one is CCOC1C=CC(=O)N1.
What is the InChIKey of 2-ethoxy-1,2-dihydropyrrol-5-one?
The InChIKey is SFHSVISPFNDPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-9-6-4-3-5(8)7-6/h3-4,6H,2H2,1H3,(H,7,8).
What are the key properties of 2-ethoxy-1,2-dihydropyrrol-5-one?
2-ethoxy-1,2-dihydropyrrol-5-one has a molecular weight of 127.14 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 13328432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).