2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one

C9H18N2O2 — CID 105442203

IUPAC2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one
SMILESCCN1C(=O)CCN1C(C)C(C)O
InChIInChI=1S/C9H18N2O2/c1-4-10-9(13)5-6-11(10)7(2)8(3)12/h7-8,12H,4-6H2,1-3H3
InChIKeyULYUNKMSOQNRID-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.22
Rot. Bonds3

About 2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one

2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one (PubChem CID 105442203) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one.

Molecular Properties

Compound Name2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one
PubChem CID105442203
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one
SMILESCCN1C(=O)CCN1C(C)C(C)O
InChIInChI=1S/C9H18N2O2/c1-4-10-9(13)5-6-11(10)7(2)8(3)12/h7-8,12H,4-6H2,1-3H3
InChIKeyULYUNKMSOQNRID-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one
CID 105435195
3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid
CID 105452750
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
CID 105468014
1-(3-hydroxybutan-2-yl)-5-propylazepan-2-one
CID 78992720
2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one
CID 105442215
1-(3-hydroxybutan-2-yl)-5,5-dimethylazepan-2-one
CID 79005189
1-(3-hydroxypentan-2-yl)piperidine-2,6-dione
CID 130893283
3-ethyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 60644815
2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid
CID 105452768
2-(2-aminopropyl)-1-cyclopentylpyrazolidin-3-one
CID 105465361
1-cyclopropyl-2-(2-hydroxypropyl)diazinan-3-one
CID 105451683

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one?
The IUPAC name of 2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one (CID 105442203) is 2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one.
What is the SMILES notation for 2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one?
The canonical SMILES for 2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one is CCN1C(=O)CCN1C(C)C(C)O.
What is the InChIKey of 2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one?
The InChIKey is ULYUNKMSOQNRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-10-9(13)5-6-11(10)7(2)8(3)12/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one?
2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one has a molecular weight of 186.25 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-hydroxybutan-2-yl)pyrazolidin-3-one is sourced from PubChem (CID 105442203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).