2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one

C9H13NO3 — CID 175699804

IUPAC2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1C1COC1
InChIInChI=1S/C9H13NO3/c1-2-6-3-8(11)9(12)10(6)7-4-13-5-7/h3,6-7,11H,2,4-5H2,1H3
InChIKeyCCHIZQWQTCYNRA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.45
Rot. Bonds2

About 2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one

2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one (PubChem CID 175699804) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one
PubChem CID175699804
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1C1COC1
InChIInChI=1S/C9H13NO3/c1-2-6-3-8(11)9(12)10(6)7-4-13-5-7/h3,6-7,11H,2,4-5H2,1H3
InChIKeyCCHIZQWQTCYNRA-UHFFFAOYSA-N
XLogP0.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4-hydroxy-1-(oxetan-3-yl)-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 2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one?
The IUPAC name of 2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one (CID 175699804) is 2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one?
The canonical SMILES for 2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one is CCC1C=C(O)C(=O)N1C1COC1.
What is the InChIKey of 2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one?
The InChIKey is CCHIZQWQTCYNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-6-3-8(11)9(12)10(6)7-4-13-5-7/h3,6-7,11H,2,4-5H2,1H3.
What are the key properties of 2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one?
2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one has a molecular weight of 183.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-1-(oxetan-3-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 175699804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).