5-bromo-1-phenylmethoxypyrrolidin-2-one

C11H12BrNO2 — CID 22495511

IUPAC5-bromo-1-phenylmethoxypyrrolidin-2-one
SMILESO=C1CCC(Br)N1OCc1ccccc1
InChIInChI=1S/C11H12BrNO2/c12-10-6-7-11(14)13(10)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyCVYBMUIYRPEVQW-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.46
Rot. Bonds3

About 5-bromo-1-phenylmethoxypyrrolidin-2-one

5-bromo-1-phenylmethoxypyrrolidin-2-one (PubChem CID 22495511) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-bromo-1-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name5-bromo-1-phenylmethoxypyrrolidin-2-one
PubChem CID22495511
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name5-bromo-1-phenylmethoxypyrrolidin-2-one
SMILESO=C1CCC(Br)N1OCc1ccccc1
InChIInChI=1S/C11H12BrNO2/c12-10-6-7-11(14)13(10)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyCVYBMUIYRPEVQW-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one
CID 22592553
1-phenylmethoxy-5-(1,4,7-triazonan-1-ylmethyl)pyrrolidin-2-one
CID 67571689
5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one
CID 58249802
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
5-(2-methoxy-1,3-dithian-2-yl)-1-phenylmethoxypyrrolidin-2-one
CID 102136144
3-(methylamino)-1-phenylmethoxypyrrolidin-2-one
CID 69151134
ethyl 3-(2,2-dimethylpropanoyloxy)-6-oxo-1-phenylmethoxypiperidine-2-carboxylate
CID 24744407
(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
CID 10104396
(5S)-5-(2-phenylethyl)-1-phenylmethoxyimidazolidin-2-one
CID 132578257
(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one
CID 131201426
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
CID 14988500

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-phenylmethoxypyrrolidin-2-one?
The IUPAC name of 5-bromo-1-phenylmethoxypyrrolidin-2-one (CID 22495511) is 5-bromo-1-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for 5-bromo-1-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for 5-bromo-1-phenylmethoxypyrrolidin-2-one is O=C1CCC(Br)N1OCc1ccccc1.
What is the InChIKey of 5-bromo-1-phenylmethoxypyrrolidin-2-one?
The InChIKey is CVYBMUIYRPEVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-10-6-7-11(14)13(10)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 5-bromo-1-phenylmethoxypyrrolidin-2-one?
5-bromo-1-phenylmethoxypyrrolidin-2-one has a molecular weight of 270.13 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 22495511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).