5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one

C11H22N2O2 — CID 105467971

IUPAC5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one
SMILESCC(CO)CN1NC(C(C)(C)C)CC1=O
InChIInChI=1S/C11H22N2O2/c1-8(7-14)6-13-10(15)5-9(12-13)11(2,3)4/h8-9,12,14H,5-7H2,1-4H3
InChIKeyIIMQRBKFEMCMBN-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.77
Rot. Bonds3

About 5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one

5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one (PubChem CID 105467971) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one
PubChem CID105467971
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one
SMILESCC(CO)CN1NC(C(C)(C)C)CC1=O
InChIInChI=1S/C11H22N2O2/c1-8(7-14)6-13-10(15)5-9(12-13)11(2,3)4/h8-9,12,14H,5-7H2,1-4H3
InChIKeyIIMQRBKFEMCMBN-UHFFFAOYSA-N
XLogP0.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-2-methylpropyl)-5-methylpyrazolidin-3-one
CID 105435152
5-cyclopropyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one
CID 105451618
5-cyclobutyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one
CID 105466140
2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one
CID 105435464
5-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one
CID 105435164
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CID 129093382
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione
CID 79244368
3-(3-hydroxy-2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 65036014
5-(3-hydroxy-2-methylpropyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
CID 105441592
1-(3-bromo-2-methylpropyl)-4-tert-butylpyrrolidin-2-one
CID 104511319
tert-butyl 3-(3-hydroxy-2-methylpropyl)azetidine-1-carboxylate
CID 68759266

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one?
The IUPAC name of 5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one (CID 105467971) is 5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one.
What is the SMILES notation for 5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one?
The canonical SMILES for 5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one is CC(CO)CN1NC(C(C)(C)C)CC1=O.
What is the InChIKey of 5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one?
The InChIKey is IIMQRBKFEMCMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(7-14)6-13-10(15)5-9(12-13)11(2,3)4/h8-9,12,14H,5-7H2,1-4H3.
What are the key properties of 5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one?
5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one has a molecular weight of 214.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(3-hydroxy-2-methylpropyl)pyrazolidin-3-one is sourced from PubChem (CID 105467971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).