4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one

C12H23NO2 — CID 129093382

IUPAC4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1C(=O)CC(C(C)(C)C)C1O
InChIInChI=1S/C12H23NO2/c1-8(2)7-13-10(14)6-9(11(13)15)12(3,4)5/h8-9,11,15H,6-7H2,1-5H3
InChIKeyXCKVTOQZJMSVAH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.86
Rot. Bonds2

About 4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one

4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 129093382) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID129093382
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1C(=O)CC(C(C)(C)C)C1O
InChIInChI=1S/C12H23NO2/c1-8(2)7-13-10(14)6-9(11(13)15)12(3,4)5/h8-9,11,15H,6-7H2,1-5H3
InChIKeyXCKVTOQZJMSVAH-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217785
1-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 81313302
5-tert-butyl-1-(2-methylpropyl)piperidin-2-one
CID 139951314
1,5-bis(2-methylpropyl)pyrrolidin-2-one
CID 139951379
5-ethyl-1-(2-methylpropyl)pyrrolidin-2-one
CID 58733449
5-chloro-3-hydroxy-2-(2-methylpropyl)-3H-isoindol-1-one
CID 22025424
3-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidine-2,5-dione
CID 105441620
(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbaldehyde
CID 97182055
6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873023
4-amino-5-(4-bromo-3-methylphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 66479503
4-(2,2,4-trimethylpentan-3-yl)cyclohexane-1,2-dione
CID 123257277
1,4,7,10-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 146611403

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one (CID 129093382) is 4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1C(=O)CC(C(C)(C)C)C1O.
What is the InChIKey of 4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is XCKVTOQZJMSVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)7-13-10(14)6-9(11(13)15)12(3,4)5/h8-9,11,15H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one?
4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-hydroxy-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 129093382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).