3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one

C8H13NO3 — CID 153380709

IUPAC3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one
SMILESCCOC1=CC(=O)N(CC)C1O
InChIInChI=1S/C8H13NO3/c1-3-9-7(10)5-6(8(9)11)12-4-2/h5,8,11H,3-4H2,1-2H3
InChIKeyZVSOGXPVXFCFBF-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.09
Rot. Bonds3

About 3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one

3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one (PubChem CID 153380709) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one
PubChem CID153380709
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one
SMILESCCOC1=CC(=O)N(CC)C1O
InChIInChI=1S/C8H13NO3/c1-3-9-7(10)5-6(8(9)11)12-4-2/h5,8,11H,3-4H2,1-2H3
InChIKeyZVSOGXPVXFCFBF-UHFFFAOYSA-N
XLogP0.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one (CID 153380709) is 3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one is CCOC1=CC(=O)N(CC)C1O.
What is the InChIKey of 3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is ZVSOGXPVXFCFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-9-7(10)5-6(8(9)11)12-4-2/h5,8,11H,3-4H2,1-2H3.
What are the key properties of 3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one?
3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 171.20 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-ethyl-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 153380709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).