1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one

C10H17NO2 — CID 90781366

IUPAC1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one
SMILESCCN1C(=O)C=C(CC(C)C)C1O
InChIInChI=1S/C10H17NO2/c1-4-11-9(12)6-8(10(11)13)5-7(2)3/h6-7,10,13H,4-5H2,1-3H3
InChIKeyXEXYGQGMNCGNMI-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.14
Rot. Bonds3

About 1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one

1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one (PubChem CID 90781366) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one
PubChem CID90781366
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one
SMILESCCN1C(=O)C=C(CC(C)C)C1O
InChIInChI=1S/C10H17NO2/c1-4-11-9(12)6-8(10(11)13)5-7(2)3/h6-7,10,13H,4-5H2,1-3H3
InChIKeyXEXYGQGMNCGNMI-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(Hydroxymethyl)-3,11,15-trimethyl-1-pyrrolidin-1-ylhexadeca-2,6,10,14-tetraen-1-one
CID 53849231
N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide
CID 54058567
7-(Hydroxymethyl)-3,11-dimethyl-1-piperidin-1-yldodeca-2,6,10-trien-1-one
CID 54350865
5-Hydroxy-4-iso-butyl-1,5-dihydropyrrol-2-one
CID 69921814
(2E,6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethyl-1-pyrrolidin-1-ylhexadeca-2,6,10,14-tetraen-1-one
CID 70586701
(Z,E)-N,N-diethyl-8-hydroxy-3,7-dimethyl-2,6-octadienamide
CID 86736490
(2E,6E)-N,N-diethyl-8-hydroxy-3,7-dimethylocta-2,6-dienamide
CID 88779024
(2E,6Z,10E)-N,N-diethyl-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenamide
CID 88779340
3-(2,2-dimethylpropyl)-2-hydroxy-1-sulfanyl-2H-pyrrol-5-one
CID 90849715
2-hydroxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one
CID 135170599
3-tert-butyl-2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 135170749
3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one
CID 135170757

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one?
The IUPAC name of 1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one (CID 90781366) is 1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one is CCN1C(=O)C=C(CC(C)C)C1O.
What is the InChIKey of 1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one?
The InChIKey is XEXYGQGMNCGNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-11-9(12)6-8(10(11)13)5-7(2)3/h6-7,10,13H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one?
1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hydroxy-3-(2-methylpropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 90781366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).