(1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide

C23H22BrN2O2P — CID 19022136

IUPAC(1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
SMILESNC(=O)N1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O.[Br-]
InChIInChI=1S/C23H21N2O2P.BrH/c24-23(27)25-17-16-21(22(25)26)28(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2,(H-,24,27);1H
InChIKeyHFFZLSNZXNBFEQ-UHFFFAOYSA-N
MW469.32 g/mol
LogP-0.34
Rot. Bonds4

About (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide

(1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide (PubChem CID 19022136) has the molecular formula C23H22BrN2O2P and a molecular weight of 469.32 g/mol. Its IUPAC name is (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide.

Molecular Properties

Compound Name(1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
PubChem CID19022136
Molecular FormulaC23H22BrN2O2P
Molecular Weight469.32 g/mol
Exact Mass468.06
IUPAC Name(1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
SMILESNC(=O)N1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O.[Br-]
InChIInChI=1S/C23H21N2O2P.BrH/c24-23(27)25-17-16-21(22(25)26)28(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2,(H-,24,27);1H
InChIKeyHFFZLSNZXNBFEQ-UHFFFAOYSA-N
XLogP-0.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide?
The IUPAC name of (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide (CID 19022136) is (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide.
What is the SMILES notation for (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide?
The canonical SMILES for (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide is NC(=O)N1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O.[Br-].
What is the InChIKey of (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide?
The InChIKey is HFFZLSNZXNBFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N2O2P.BrH/c24-23(27)25-17-16-21(22(25)26)28(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2,(H-,24,27);1H.
What are the key properties of (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide?
(1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide has a molecular weight of 469.32 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide is sourced from PubChem (CID 19022136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).