5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one

C9H18N2O2 — CID 105442163

IUPAC5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
SMILESCCC1(C)CC(=O)N(CCO)N1C
InChIInChI=1S/C9H18N2O2/c1-4-9(2)7-8(13)11(5-6-12)10(9)3/h12H,4-7H2,1-3H3
InChIKeyLMEQBWNOOGRJDZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.23
Rot. Bonds3

About 5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one

5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one (PubChem CID 105442163) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one.

Molecular Properties

Compound Name5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
PubChem CID105442163
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
SMILESCCC1(C)CC(=O)N(CCO)N1C
InChIInChI=1S/C9H18N2O2/c1-4-9(2)7-8(13)11(5-6-12)10(9)3/h12H,4-7H2,1-3H3
InChIKeyLMEQBWNOOGRJDZ-UHFFFAOYSA-N
XLogP0.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
CID 105441177
2,6-diethyl-1-hydroxy-2,6-dimethylpiperidin-4-one
CID 22341840
4-ethyl-1,4-dimethylpiperidine-2,6-dione
CID 544425
2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid
CID 105467609
2-(1-methyl-3-oxo-1,2-diazaspiro[4.4]nonan-2-yl)acetic acid
CID 105465896
1-(1-hydroxybutan-2-yl)-4,4-dimethylpiperidine-2,6-dione
CID 62931399
3-ethyl-4-(2-hydroxyethyl)-4-methyl-1,3-oxazolidin-2-one
CID 115064056
1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 21270270
2,7-diethyl-1-hydroxy-2,3,7-trimethyl-6H-1,4-diazepin-5-one
CID 141140787
5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one
CID 105464207
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4,4-dimethylpiperidine-2,6-dione
CID 107849864
2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
CID 105430948

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one?
The IUPAC name of 5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one (CID 105442163) is 5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one.
What is the SMILES notation for 5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one?
The canonical SMILES for 5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one is CCC1(C)CC(=O)N(CCO)N1C.
What is the InChIKey of 5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one?
The InChIKey is LMEQBWNOOGRJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-9(2)7-8(13)11(5-6-12)10(9)3/h12H,4-7H2,1-3H3.
What are the key properties of 5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one?
5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one has a molecular weight of 186.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one is sourced from PubChem (CID 105442163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).