4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one

C13H17BrNO2P — CID 168504286

IUPAC4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
SMILESCP(C)(=O)c1ccccc1N1CC(CBr)CC1=O
InChIInChI=1S/C13H17BrNO2P/c1-18(2,17)12-6-4-3-5-11(12)15-9-10(8-14)7-13(15)16/h3-6,10H,7-9H2,1-2H3
InChIKeyZKEPOIMCYMOKJM-UHFFFAOYSA-N
MW330.16 g/mol
LogP2.68
Rot. Bonds3

About 4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one

4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one (PubChem CID 168504286) has the molecular formula C13H17BrNO2P and a molecular weight of 330.16 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
PubChem CID168504286
Molecular FormulaC13H17BrNO2P
Molecular Weight330.16 g/mol
Exact Mass329.02
IUPAC Name4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
SMILESCP(C)(=O)c1ccccc1N1CC(CBr)CC1=O
InChIInChI=1S/C13H17BrNO2P/c1-18(2,17)12-6-4-3-5-11(12)15-9-10(8-14)7-13(15)16/h3-6,10H,7-9H2,1-2H3
InChIKeyZKEPOIMCYMOKJM-UHFFFAOYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
CID 168687930
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
1-(2-dimethylphosphorylphenyl)-4-ethynylpyrrolidin-2-one
CID 168500963
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N-methylbenzamide
CID 168503974
4-(bromomethyl)-1-[2-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168505915
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-(bromomethyl)-1-(2-bromo-3-methylphenyl)pyrrolidin-2-one
CID 168504687
4-(bromomethyl)-1-(2,6-diethylphenyl)pyrrolidin-2-one
CID 168503911
3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-N,2-dimethylbenzamide
CID 168504361
4-(bromomethyl)-1-(2-methylquinolin-8-yl)pyrrolidin-2-one
CID 168504513
1-(2-bromo-6-methoxy-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168504219
2-bromo-6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]benzoic acid
CID 168506117

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one (CID 168504286) is 4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one is CP(C)(=O)c1ccccc1N1CC(CBr)CC1=O.
What is the InChIKey of 4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one?
The InChIKey is ZKEPOIMCYMOKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrNO2P/c1-18(2,17)12-6-4-3-5-11(12)15-9-10(8-14)7-13(15)16/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one?
4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one has a molecular weight of 330.16 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168504286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).