4-(2-bromoacetyl)pyrrolidin-2-one

C6H8BrNO2 — CID 56845216

IUPAC4-(2-bromoacetyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)CBr)CN1
InChIInChI=1S/C6H8BrNO2/c7-2-5(9)4-1-6(10)8-3-4/h4H,1-3H2,(H,8,10)
InChIKeyUNCQMFXBMKJUNO-UHFFFAOYSA-N
MW206.04 g/mol
LogP0.09
Rot. Bonds2

About 4-(2-bromoacetyl)pyrrolidin-2-one

4-(2-bromoacetyl)pyrrolidin-2-one (PubChem CID 56845216) has the molecular formula C6H8BrNO2 and a molecular weight of 206.04 g/mol. Its IUPAC name is 4-(2-bromoacetyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-bromoacetyl)pyrrolidin-2-one
PubChem CID56845216
Molecular FormulaC6H8BrNO2
Molecular Weight206.04 g/mol
Exact Mass204.97
IUPAC Name4-(2-bromoacetyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)CBr)CN1
InChIInChI=1S/C6H8BrNO2/c7-2-5(9)4-1-6(10)8-3-4/h4H,1-3H2,(H,8,10)
InChIKeyUNCQMFXBMKJUNO-UHFFFAOYSA-N
XLogP0.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-hydroxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 83191607
N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
CID 81459469
tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
CID 124575955
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione
CID 83193614
N-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 78981963
N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide
CID 115636687
N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide
CID 81469853
N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981915
N-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78983294
N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83193505
N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 78981416

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoacetyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-bromoacetyl)pyrrolidin-2-one (CID 56845216) is 4-(2-bromoacetyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-bromoacetyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-bromoacetyl)pyrrolidin-2-one is O=C1CC(C(=O)CBr)CN1.
What is the InChIKey of 4-(2-bromoacetyl)pyrrolidin-2-one?
The InChIKey is UNCQMFXBMKJUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2/c7-2-5(9)4-1-6(10)8-3-4/h4H,1-3H2,(H,8,10).
What are the key properties of 4-(2-bromoacetyl)pyrrolidin-2-one?
4-(2-bromoacetyl)pyrrolidin-2-one has a molecular weight of 206.04 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoacetyl)pyrrolidin-2-one is sourced from PubChem (CID 56845216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).