3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one

C14H27NO2 — CID 123754717

IUPAC3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one
SMILESCN1C(=O)C(C(C)(C)C)(C(C)(C)C)CC1(C)O
InChIInChI=1S/C14H27NO2/c1-11(2,3)14(12(4,5)6)9-13(7,17)15(8)10(14)16/h17H,9H2,1-8H3
InChIKeyLGBINFKOZWCUFW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.64
Rot. Bonds

About 3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one

3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one (PubChem CID 123754717) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one
PubChem CID123754717
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one
SMILESCN1C(=O)C(C(C)(C)C)(C(C)(C)C)CC1(C)O
InChIInChI=1S/C14H27NO2/c1-11(2,3)14(12(4,5)6)9-13(7,17)15(8)10(14)16/h17H,9H2,1-8H3
InChIKeyLGBINFKOZWCUFW-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one?
The IUPAC name of 3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one (CID 123754717) is 3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one is CN1C(=O)C(C(C)(C)C)(C(C)(C)C)CC1(C)O.
What is the InChIKey of 3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one?
The InChIKey is LGBINFKOZWCUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2,3)14(12(4,5)6)9-13(7,17)15(8)10(14)16/h17H,9H2,1-8H3.
What are the key properties of 3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one?
3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one has a molecular weight of 241.37 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-ditert-butyl-5-hydroxy-1,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 123754717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).