3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one

C10H19NO2 — CID 139389161

IUPAC3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC(O)CCC1CC(C)(C)NC1=O
InChIInChI=1S/C10H19NO2/c1-7(12)4-5-8-6-10(2,3)11-9(8)13/h7-8,12H,4-6H2,1-3H3,(H,11,13)
InChIKeyHJQCBJLOLVTDLJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.06
Rot. Bonds3

About 3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one

3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 139389161) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID139389161
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC(O)CCC1CC(C)(C)NC1=O
InChIInChI=1S/C10H19NO2/c1-7(12)4-5-8-6-10(2,3)11-9(8)13/h7-8,12H,4-6H2,1-3H3,(H,11,13)
InChIKeyHJQCBJLOLVTDLJ-UHFFFAOYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one (CID 139389161) is 3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one is CC(O)CCC1CC(C)(C)NC1=O.
What is the InChIKey of 3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is HJQCBJLOLVTDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(12)4-5-8-6-10(2,3)11-9(8)13/h7-8,12H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one?
3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybutyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 139389161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).