1-(2,2-dimethylpropanoyl)pyrrolidin-2-one

C9H15NO2 — CID 11008332

IUPAC1-(2,2-dimethylpropanoyl)pyrrolidin-2-one
SMILESCC(C)(C)C(=O)N1CCCC1=O
InChIInChI=1S/C9H15NO2/c1-9(2,3)8(12)10-6-4-5-7(10)11/h4-6H2,1-3H3
InChIKeyJELCEBGOGRKJTF-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.18
Rot. Bonds

About 1-(2,2-dimethylpropanoyl)pyrrolidin-2-one

1-(2,2-dimethylpropanoyl)pyrrolidin-2-one (PubChem CID 11008332) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)pyrrolidin-2-one
PubChem CID11008332
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(2,2-dimethylpropanoyl)pyrrolidin-2-one
SMILESCC(C)(C)C(=O)N1CCCC1=O
InChIInChI=1S/C9H15NO2/c1-9(2,3)8(12)10-6-4-5-7(10)11/h4-6H2,1-3H3
InChIKeyJELCEBGOGRKJTF-UHFFFAOYSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropanoyl)pyrrolidin-2-one (CID 11008332) is 1-(2,2-dimethylpropanoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)pyrrolidin-2-one is CC(C)(C)C(=O)N1CCCC1=O.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)pyrrolidin-2-one?
The InChIKey is JELCEBGOGRKJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,3)8(12)10-6-4-5-7(10)11/h4-6H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropanoyl)pyrrolidin-2-one?
1-(2,2-dimethylpropanoyl)pyrrolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)pyrrolidin-2-one is sourced from PubChem (CID 11008332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).