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

C7H11NO2 — CID 135170757

IUPAC3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCCC1=CC(=O)N(C)C1O
InChIInChI=1S/C7H11NO2/c1-3-5-4-6(9)8(2)7(5)10/h4,7,10H,3H2,1-2H3
InChIKeyHWPHCCBRDRQABH-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.11
Rot. Bonds1

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

3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 135170757) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID135170757
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCCC1=CC(=O)N(C)C1O
InChIInChI=1S/C7H11NO2/c1-3-5-4-6(9)8(2)7(5)10/h4,7,10H,3H2,1-2H3
InChIKeyHWPHCCBRDRQABH-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one (CID 135170757) is 3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one is CCC1=CC(=O)N(C)C1O.
What is the InChIKey of 3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is HWPHCCBRDRQABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-5-4-6(9)8(2)7(5)10/h4,7,10H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one?
3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 135170757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).