1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one

C7H11NO2 — CID 139219087

IUPAC1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
SMILESCCN1CC(O)=C(C)C1=O
InChIInChI=1S/C7H11NO2/c1-3-8-4-6(9)5(2)7(8)10/h9H,3-4H2,1-2H3
InChIKeyOQRWKMXETJTFFJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.68
Rot. Bonds1

About 1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one

1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one (PubChem CID 139219087) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
PubChem CID139219087
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
SMILESCCN1CC(O)=C(C)C1=O
InChIInChI=1S/C7H11NO2/c1-3-8-4-6(9)5(2)7(8)10/h9H,3-4H2,1-2H3
InChIKeyOQRWKMXETJTFFJ-UHFFFAOYSA-N
XLogP0.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-2-oxo-1-propyl-2,5-dihydro-1H-pyrrole-3-carbonitrile
CID 54697632
1-(2-Hydroxyethyl)-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 15919476
4-Hydroxy-3-methyl-1H-pyrrol-2(5H)-one
CID 54693708
4-hydroxy-3-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
CID 145554488
1-tert-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
CID 101562025
3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one
CID 139219088
1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
CID 139219091
1-(2-Hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
CID 20184389
3,4-Dihydroxy-1-methyl-1H-pyrrol-2(5H)-one
CID 54712605
4-Hydroxy-3-methyl-1-(2-methylpropyl)-5-sulfanylidenepyrrol-2-one
CID 57549025
3-Hydroxy-1,4-dimethylpyrrole-2,5-dione
CID 57658843
3-hydroxy-1,4-dimethyl-2H-pyrrol-5-one
CID 57914793

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one (CID 139219087) is 1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one is CCN1CC(O)=C(C)C1=O.
What is the InChIKey of 1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one?
The InChIKey is OQRWKMXETJTFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-8-4-6(9)5(2)7(8)10/h9H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one?
1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 139219087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).