1-ethyl-5-hydroxy-5-methylpyrrol-2-one

C7H11NO2 — CID 164781888

IUPAC1-ethyl-5-hydroxy-5-methylpyrrol-2-one
SMILESCCN1C(=O)C=CC1(C)O
InChIInChI=1S/C7H11NO2/c1-3-8-6(9)4-5-7(8,2)10/h4-5,10H,3H2,1-2H3
InChIKeyZJFCXGKCGDFKEE-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.11
Rot. Bonds1

About 1-ethyl-5-hydroxy-5-methylpyrrol-2-one

1-ethyl-5-hydroxy-5-methylpyrrol-2-one (PubChem CID 164781888) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-5-methylpyrrol-2-one.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-5-methylpyrrol-2-one
PubChem CID164781888
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-ethyl-5-hydroxy-5-methylpyrrol-2-one
SMILESCCN1C(=O)C=CC1(C)O
InChIInChI=1S/C7H11NO2/c1-3-8-6(9)4-5-7(8,2)10/h4-5,10H,3H2,1-2H3
InChIKeyZJFCXGKCGDFKEE-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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Related Compounds

5-Hydroxy-5-methyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrol-2-one
CID 161754331
1-Hexyl-5-hydroxy-5-methylpyrrol-2-one
CID 15275373
(E)-4-[acetyl(ethyl)amino]pent-2-enoic acid
CID 20668253
5-Hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one
CID 44472131
5-Hydroxy-1,5-dimethylpyrrol-2-one
CID 143018585
5-Hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one
CID 154691420
1-[4-(2-Hydroxy-2-methyl-5-oxopyrrol-1-yl)butyl]pyrrole-2,5-dione
CID 166530487
5-Hydroxy-1-(3-hydroxypropyl)-5-methylpyrrol-2-one
CID 44472128
5-Hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one
CID 72711922
(5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one
CID 102578573
1-But-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one
CID 102584001
3-(2-Hydroxy-2-methyl-5-oxopyrrol-1-yl)propanal
CID 144727559

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-hydroxy-5-methylpyrrol-2-one?
The IUPAC name of 1-ethyl-5-hydroxy-5-methylpyrrol-2-one (CID 164781888) is 1-ethyl-5-hydroxy-5-methylpyrrol-2-one.
What is the SMILES notation for 1-ethyl-5-hydroxy-5-methylpyrrol-2-one?
The canonical SMILES for 1-ethyl-5-hydroxy-5-methylpyrrol-2-one is CCN1C(=O)C=CC1(C)O.
What is the InChIKey of 1-ethyl-5-hydroxy-5-methylpyrrol-2-one?
The InChIKey is ZJFCXGKCGDFKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-8-6(9)4-5-7(8,2)10/h4-5,10H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-hydroxy-5-methylpyrrol-2-one?
1-ethyl-5-hydroxy-5-methylpyrrol-2-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 1-ethyl-5-hydroxy-5-methylpyrrol-2-one is sourced from PubChem (CID 164781888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).