2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide

C6H9BrN2O2 — CID 63787866

IUPAC2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide
SMILESNC(=O)CN1CCC(Br)C1=O
InChIInChI=1S/C6H9BrN2O2/c7-4-1-2-9(6(4)11)3-5(8)10/h4H,1-3H2,(H2,8,10)
InChIKeyCQVNYRNGCMJLIC-UHFFFAOYSA-N
MW221.05 g/mol
LogP-0.53
Rot. Bonds2

About 2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide

2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide (PubChem CID 63787866) has the molecular formula C6H9BrN2O2 and a molecular weight of 221.05 g/mol. Its IUPAC name is 2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide
PubChem CID63787866
Molecular FormulaC6H9BrN2O2
Molecular Weight221.05 g/mol
Exact Mass219.98
IUPAC Name2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide
SMILESNC(=O)CN1CCC(Br)C1=O
InChIInChI=1S/C6H9BrN2O2/c7-4-1-2-9(6(4)11)3-5(8)10/h4H,1-3H2,(H2,8,10)
InChIKeyCQVNYRNGCMJLIC-UHFFFAOYSA-N
XLogP-0.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 5-0.53
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 2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of 2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide (CID 63787866) is 2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for 2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for 2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide is NC(=O)CN1CCC(Br)C1=O.
What is the InChIKey of 2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is CQVNYRNGCMJLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O2/c7-4-1-2-9(6(4)11)3-5(8)10/h4H,1-3H2,(H2,8,10).
What are the key properties of 2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide?
2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 221.05 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 63787866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).