3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide

C9H15BrN2O2 — CID 106279166

IUPAC3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(CN1CCC(Br)C1=O)C(N)=O
InChIInChI=1S/C9H15BrN2O2/c1-9(2,8(11)14)5-12-4-3-6(10)7(12)13/h6H,3-5H2,1-2H3,(H2,11,14)
InChIKeyAWZYHEOCDZBWOT-UHFFFAOYSA-N
MW263.13 g/mol
LogP0.49
Rot. Bonds3

About 3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide

3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide (PubChem CID 106279166) has the molecular formula C9H15BrN2O2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide
PubChem CID106279166
Molecular FormulaC9H15BrN2O2
Molecular Weight263.13 g/mol
Exact Mass262.03
IUPAC Name3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide
SMILESCC(C)(CN1CCC(Br)C1=O)C(N)=O
InChIInChI=1S/C9H15BrN2O2/c1-9(2,8(11)14)5-12-4-3-6(10)7(12)13/h6H,3-5H2,1-2H3,(H2,11,14)
InChIKeyAWZYHEOCDZBWOT-UHFFFAOYSA-N
XLogP0.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide (CID 106279166) is 3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide is CC(C)(CN1CCC(Br)C1=O)C(N)=O.
What is the InChIKey of 3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide?
The InChIKey is AWZYHEOCDZBWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2/c1-9(2,8(11)14)5-12-4-3-6(10)7(12)13/h6H,3-5H2,1-2H3,(H2,11,14).
What are the key properties of 3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide?
3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide has a molecular weight of 263.13 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 106279166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).