3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one

C9H17NO2 — CID 166728294

IUPAC3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one
SMILESCCC(C)(C)C1(O)CCNC1=O
InChIInChI=1S/C9H17NO2/c1-4-8(2,3)9(12)5-6-10-7(9)11/h12H,4-6H2,1-3H3,(H,10,11)
InChIKeyHERURWAFDPIKFG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.67
Rot. Bonds2

About 3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one

3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one (PubChem CID 166728294) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one
PubChem CID166728294
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one
SMILESCCC(C)(C)C1(O)CCNC1=O
InChIInChI=1S/C9H17NO2/c1-4-8(2,3)9(12)5-6-10-7(9)11/h12H,4-6H2,1-3H3,(H,10,11)
InChIKeyHERURWAFDPIKFG-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one (CID 166728294) is 3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one is CCC(C)(C)C1(O)CCNC1=O.
What is the InChIKey of 3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one?
The InChIKey is HERURWAFDPIKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-8(2,3)9(12)5-6-10-7(9)11/h12H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one?
3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-methylbutan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 166728294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).