3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one

C11H21NO2 — CID 166765965

IUPAC3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one
SMILESCCCC(C)(C)C1(O)CCN(C)C1=O
InChIInChI=1S/C11H21NO2/c1-5-6-10(2,3)11(14)7-8-12(4)9(11)13/h14H,5-8H2,1-4H3
InChIKeyUXFAKKFDENNNER-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.41
Rot. Bonds3

About 3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one

3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one (PubChem CID 166765965) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one
PubChem CID166765965
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one
SMILESCCCC(C)(C)C1(O)CCN(C)C1=O
InChIInChI=1S/C11H21NO2/c1-5-6-10(2,3)11(14)7-8-12(4)9(11)13/h14H,5-8H2,1-4H3
InChIKeyUXFAKKFDENNNER-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one (CID 166765965) is 3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one is CCCC(C)(C)C1(O)CCN(C)C1=O.
What is the InChIKey of 3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one?
The InChIKey is UXFAKKFDENNNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-10(2,3)11(14)7-8-12(4)9(11)13/h14H,5-8H2,1-4H3.
What are the key properties of 3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one?
3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-(2-methylpentan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 166765965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).