1-benzoyl-2,2-dimethylpyrrolidin-3-one

C13H15NO2 — CID 66936289

IUPAC1-benzoyl-2,2-dimethylpyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1C(=O)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-13(2)11(15)8-9-14(13)12(16)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyAEGXJZRUGVAQEJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.88
Rot. Bonds1

About 1-benzoyl-2,2-dimethylpyrrolidin-3-one

1-benzoyl-2,2-dimethylpyrrolidin-3-one (PubChem CID 66936289) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-benzoyl-2,2-dimethylpyrrolidin-3-one.

Molecular Properties

Compound Name1-benzoyl-2,2-dimethylpyrrolidin-3-one
PubChem CID66936289
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-benzoyl-2,2-dimethylpyrrolidin-3-one
SMILESCC1(C)C(=O)CCN1C(=O)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-13(2)11(15)8-9-14(13)12(16)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyAEGXJZRUGVAQEJ-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2,2-dimethylpyrrolidin-3-one?
The IUPAC name of 1-benzoyl-2,2-dimethylpyrrolidin-3-one (CID 66936289) is 1-benzoyl-2,2-dimethylpyrrolidin-3-one.
What is the SMILES notation for 1-benzoyl-2,2-dimethylpyrrolidin-3-one?
The canonical SMILES for 1-benzoyl-2,2-dimethylpyrrolidin-3-one is CC1(C)C(=O)CCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-2,2-dimethylpyrrolidin-3-one?
The InChIKey is AEGXJZRUGVAQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2)11(15)8-9-14(13)12(16)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 1-benzoyl-2,2-dimethylpyrrolidin-3-one?
1-benzoyl-2,2-dimethylpyrrolidin-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2,2-dimethylpyrrolidin-3-one is sourced from PubChem (CID 66936289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).