1-(2-bromoacetyl)pyrrolidin-2-one

C6H8BrNO2 — CID 45081009

IUPAC1-(2-bromoacetyl)pyrrolidin-2-one
SMILESO=C(CBr)N1CCCC1=O
InChIInChI=1S/C6H8BrNO2/c7-4-6(10)8-3-1-2-5(8)9/h1-4H2
InChIKeyXCYDGSGTPOERRV-UHFFFAOYSA-N
MW206.04 g/mol
LogP0.53
Rot. Bonds1

About 1-(2-bromoacetyl)pyrrolidin-2-one

1-(2-bromoacetyl)pyrrolidin-2-one (PubChem CID 45081009) has the molecular formula C6H8BrNO2 and a molecular weight of 206.04 g/mol. Its IUPAC name is 1-(2-bromoacetyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromoacetyl)pyrrolidin-2-one
PubChem CID45081009
Molecular FormulaC6H8BrNO2
Molecular Weight206.04 g/mol
Exact Mass204.97
IUPAC Name1-(2-bromoacetyl)pyrrolidin-2-one
SMILESO=C(CBr)N1CCCC1=O
InChIInChI=1S/C6H8BrNO2/c7-4-6(10)8-3-1-2-5(8)9/h1-4H2
InChIKeyXCYDGSGTPOERRV-UHFFFAOYSA-N
XLogP0.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 50.53
H-Bond Donors ≤ 50
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 1-(2-bromoacetyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-bromoacetyl)pyrrolidin-2-one (CID 45081009) is 1-(2-bromoacetyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromoacetyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-bromoacetyl)pyrrolidin-2-one is O=C(CBr)N1CCCC1=O.
What is the InChIKey of 1-(2-bromoacetyl)pyrrolidin-2-one?
The InChIKey is XCYDGSGTPOERRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2/c7-4-6(10)8-3-1-2-5(8)9/h1-4H2.
What are the key properties of 1-(2-bromoacetyl)pyrrolidin-2-one?
1-(2-bromoacetyl)pyrrolidin-2-one has a molecular weight of 206.04 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoacetyl)pyrrolidin-2-one is sourced from PubChem (CID 45081009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).