1,3-ditert-butyl-5-hydroxypyrrolidin-2-one

C12H23NO2 — CID 129076651

IUPAC1,3-ditert-butyl-5-hydroxypyrrolidin-2-one
SMILESCC(C)(C)C1CC(O)N(C(C)(C)C)C1=O
InChIInChI=1S/C12H23NO2/c1-11(2,3)8-7-9(14)13(10(8)15)12(4,5)6/h8-9,14H,7H2,1-6H3
InChIKeyBOHOREROUIFAQT-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.00
Rot. Bonds

About 1,3-ditert-butyl-5-hydroxypyrrolidin-2-one

1,3-ditert-butyl-5-hydroxypyrrolidin-2-one (PubChem CID 129076651) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1,3-ditert-butyl-5-hydroxypyrrolidin-2-one
PubChem CID129076651
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1,3-ditert-butyl-5-hydroxypyrrolidin-2-one
SMILESCC(C)(C)C1CC(O)N(C(C)(C)C)C1=O
InChIInChI=1S/C12H23NO2/c1-11(2,3)8-7-9(14)13(10(8)15)12(4,5)6/h8-9,14H,7H2,1-6H3
InChIKeyBOHOREROUIFAQT-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-hydroxypyrrolidin-2-one?
The IUPAC name of 1,3-ditert-butyl-5-hydroxypyrrolidin-2-one (CID 129076651) is 1,3-ditert-butyl-5-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1,3-ditert-butyl-5-hydroxypyrrolidin-2-one?
The canonical SMILES for 1,3-ditert-butyl-5-hydroxypyrrolidin-2-one is CC(C)(C)C1CC(O)N(C(C)(C)C)C1=O.
What is the InChIKey of 1,3-ditert-butyl-5-hydroxypyrrolidin-2-one?
The InChIKey is BOHOREROUIFAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2,3)8-7-9(14)13(10(8)15)12(4,5)6/h8-9,14H,7H2,1-6H3.
What are the key properties of 1,3-ditert-butyl-5-hydroxypyrrolidin-2-one?
1,3-ditert-butyl-5-hydroxypyrrolidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-hydroxypyrrolidin-2-one is sourced from PubChem (CID 129076651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).