2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide

C8H13BrN2O2 — CID 63787714

IUPAC2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1CCC(Br)C1=O
InChIInChI=1S/C8H13BrN2O2/c1-2-10-7(12)5-11-4-3-6(9)8(11)13/h6H,2-5H2,1H3,(H,10,12)
InChIKeySFZCUKFLYJTUHA-UHFFFAOYSA-N
MW249.11 g/mol
LogP0.12
Rot. Bonds3

About 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide

2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide (PubChem CID 63787714) has the molecular formula C8H13BrN2O2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide
PubChem CID63787714
Molecular FormulaC8H13BrN2O2
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC Name2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1CCC(Br)C1=O
InChIInChI=1S/C8H13BrN2O2/c1-2-10-7(12)5-11-4-3-6(9)8(11)13/h6H,2-5H2,1H3,(H,10,12)
InChIKeySFZCUKFLYJTUHA-UHFFFAOYSA-N
XLogP0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 50.12
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)-N-ethylacetamide?
The IUPAC name of 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide (CID 63787714) is 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide is CCNC(=O)CN1CCC(Br)C1=O.
What is the InChIKey of 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide?
The InChIKey is SFZCUKFLYJTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2/c1-2-10-7(12)5-11-4-3-6(9)8(11)13/h6H,2-5H2,1H3,(H,10,12).
What are the key properties of 2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide?
2-(3-bromo-2-oxopyrrolidin-1-yl)-N-ethylacetamide has a molecular weight of 249.11 g/mol, XLogP of 0.12, 3 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)-N-ethylacetamide is sourced from PubChem (CID 63787714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).