5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one

C11H20N2O2 — CID 105466148

IUPAC5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one
SMILESCC(=O)CN1NC(C)(C(C)(C)C)CC1=O
InChIInChI=1S/C11H20N2O2/c1-8(14)7-13-9(15)6-11(5,12-13)10(2,3)4/h12H,6-7H2,1-5H3
InChIKeyUYTVYNWPJICGPI-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.12
Rot. Bonds2

About 5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one

5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one (PubChem CID 105466148) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one
PubChem CID105466148
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one
SMILESCC(=O)CN1NC(C)(C(C)(C)C)CC1=O
InChIInChI=1S/C11H20N2O2/c1-8(14)7-13-9(15)6-11(5,12-13)10(2,3)4/h12H,6-7H2,1-5H3
InChIKeyUYTVYNWPJICGPI-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one
CID 105452385
5-cyclopropyl-2-(2-oxopropyl)pyrazolidin-3-one
CID 105440083
5-ethyl-5-methyl-2-(3-oxobutyl)pyrazolidin-3-one
CID 105451622
5-cyclopentyl-2-(2-oxopropyl)pyrazolidin-3-one
CID 105464238
3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
CID 65301965
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one
CID 105452159
5-(2-oxopropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
CID 105434050
6,6-dimethyl-3-(methylamino)-1-(2-oxopropyl)azepan-2-one
CID 22984769
CID 158043777
CID 158043777
3-methyl-1-(2-oxopropyl)-1,4-diazepan-2-one
CID 115102162
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one?
The IUPAC name of 5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one (CID 105466148) is 5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one.
What is the SMILES notation for 5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one?
The canonical SMILES for 5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one is CC(=O)CN1NC(C)(C(C)(C)C)CC1=O.
What is the InChIKey of 5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one?
The InChIKey is UYTVYNWPJICGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(14)7-13-9(15)6-11(5,12-13)10(2,3)4/h12H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one?
5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one has a molecular weight of 212.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-methyl-2-(2-oxopropyl)pyrazolidin-3-one is sourced from PubChem (CID 105466148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).