5-(2,2-dimethylpropanoyl)pyrrolidin-2-one

C9H15NO2 — CID 76615275

IUPAC5-(2,2-dimethylpropanoyl)pyrrolidin-2-one
SMILESCC(C)(C)C(=O)C1CCC(=O)N1
InChIInChI=1S/C9H15NO2/c1-9(2,3)8(12)6-4-5-7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyAIGZBWWPHKEFNB-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.88
Rot. Bonds1

About 5-(2,2-dimethylpropanoyl)pyrrolidin-2-one

5-(2,2-dimethylpropanoyl)pyrrolidin-2-one (PubChem CID 76615275) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoyl)pyrrolidin-2-one
PubChem CID76615275
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-(2,2-dimethylpropanoyl)pyrrolidin-2-one
SMILESCC(C)(C)C(=O)C1CCC(=O)N1
InChIInChI=1S/C9H15NO2/c1-9(2,3)8(12)6-4-5-7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11)
InChIKeyAIGZBWWPHKEFNB-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)pyrrolidin-2-one?
The IUPAC name of 5-(2,2-dimethylpropanoyl)pyrrolidin-2-one (CID 76615275) is 5-(2,2-dimethylpropanoyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2,2-dimethylpropanoyl)pyrrolidin-2-one?
The canonical SMILES for 5-(2,2-dimethylpropanoyl)pyrrolidin-2-one is CC(C)(C)C(=O)C1CCC(=O)N1.
What is the InChIKey of 5-(2,2-dimethylpropanoyl)pyrrolidin-2-one?
The InChIKey is AIGZBWWPHKEFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,3)8(12)6-4-5-7(11)10-6/h6H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 5-(2,2-dimethylpropanoyl)pyrrolidin-2-one?
5-(2,2-dimethylpropanoyl)pyrrolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoyl)pyrrolidin-2-one is sourced from PubChem (CID 76615275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).