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

C23H22N2O2P+ — CID 19022137

IUPAC(1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium
SMILESNC(=O)N1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C23H21N2O2P/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)/p+1
InChIKeyXPFFSISNWXIDFT-UHFFFAOYSA-O
MW389.42 g/mol
LogP2.66
Rot. Bonds4

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

(1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium (PubChem CID 19022137) has the molecular formula C23H22N2O2P+ and a molecular weight of 389.42 g/mol. Its IUPAC name is (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium.

Molecular Properties

Compound Name(1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium
PubChem CID19022137
Molecular FormulaC23H22N2O2P+
Molecular Weight389.42 g/mol
Exact Mass389.14
IUPAC Name(1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium
SMILESNC(=O)N1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C23H21N2O2P/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)/p+1
InChIKeyXPFFSISNWXIDFT-UHFFFAOYSA-O
XLogP2.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.66
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?
The IUPAC name of (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium (CID 19022137) is (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium.
What is the SMILES notation for (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium?
The canonical SMILES for (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium is NC(=O)N1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium?
The InChIKey is XPFFSISNWXIDFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H21N2O2P/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)/p+1.
What are the key properties of (1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium?
(1-carbamoyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium has a molecular weight of 389.42 g/mol, XLogP of 2.66, 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 is sourced from PubChem (CID 19022137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).