5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one

C10H18N2O2 — CID 105451622

IUPAC5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one
SMILESCCC1(C)CC(=O)N(CCC(C)=O)N1
InChIInChI=1S/C10H18N2O2/c1-4-10(3)7-9(14)12(11-10)6-5-8(2)13/h11H,4-7H2,1-3H3
InChIKeyHYKRFZTVXRMCRZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.87
Rot. Bonds4

About 5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one

5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one (PubChem CID 105451622) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one
PubChem CID105451622
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one
SMILESCCC1(C)CC(=O)N(CCC(C)=O)N1
InChIInChI=1S/C10H18N2O2/c1-4-10(3)7-9(14)12(11-10)6-5-8(2)13/h11H,4-7H2,1-3H3
InChIKeyHYKRFZTVXRMCRZ-UHFFFAOYSA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminobutyl)-5-ethyl-5-methylpyrazolidin-3-one
CID 105452383
5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one
CID 105466148
5-methyl-6-(3-oxobutyl)-5,6-diazaspiro[3.4]octan-7-one
CID 105464207
3,3-dimethyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
CID 65301376
4-methyl-1-(3-oxobutyl)imidazolidin-2-one
CID 116980530
1-(3-oxobutyl)-4-propylimidazolidin-2-one
CID 116980526
5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 126971671
ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one
CID 168988048
4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one
CID 130847612
4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one
CID 130660307
2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one
CID 105452385
4-ethyl-1,4-dimethylpiperidine-2,6-dione
CID 544425

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one?
The IUPAC name of 5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one (CID 105451622) is 5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one.
What is the SMILES notation for 5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one?
The canonical SMILES for 5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one is CCC1(C)CC(=O)N(CCC(C)=O)N1.
What is the InChIKey of 5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one?
The InChIKey is HYKRFZTVXRMCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-10(3)7-9(14)12(11-10)6-5-8(2)13/h11H,4-7H2,1-3H3.
What are the key properties of 5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one?
5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one has a molecular weight of 198.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one is sourced from PubChem (CID 105451622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).