N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide

C8H13BrN2O2 — CID 63789994

IUPACN-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCC(Br)C1=O
InChIInChI=1S/C8H13BrN2O2/c1-6(12)10-3-5-11-4-2-7(9)8(11)13/h7H,2-5H2,1H3,(H,10,12)
InChIKeyBEMLVPJECFFZKR-UHFFFAOYSA-N
MW249.11 g/mol
LogP0.12
Rot. Bonds3

About N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide

N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide (PubChem CID 63789994) has the molecular formula C8H13BrN2O2 and a molecular weight of 249.11 g/mol. Its IUPAC name is N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide
PubChem CID63789994
Molecular FormulaC8H13BrN2O2
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC NameN-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1CCC(Br)C1=O
InChIInChI=1S/C8H13BrN2O2/c1-6(12)10-3-5-11-4-2-7(9)8(11)13/h7H,2-5H2,1H3,(H,10,12)
InChIKeyBEMLVPJECFFZKR-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 N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide (CID 63789994) is N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide is CC(=O)NCCN1CCC(Br)C1=O.
What is the InChIKey of N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is BEMLVPJECFFZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2/c1-6(12)10-3-5-11-4-2-7(9)8(11)13/h7H,2-5H2,1H3,(H,10,12).
What are the key properties of N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide?
N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide 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 N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 63789994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).