(2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone

C21H25N2O3P — CID 139600105

IUPAC(2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCCC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N2O3P/c24-21(22-14-16-26-17-15-22)23-13-7-12-20(23)27(25,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
InChIKeyMGSKKJXXWPQCRK-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.87
Rot. Bonds3

About (2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone

(2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone (PubChem CID 139600105) has the molecular formula C21H25N2O3P and a molecular weight of 384.42 g/mol. Its IUPAC name is (2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone
PubChem CID139600105
Molecular FormulaC21H25N2O3P
Molecular Weight384.42 g/mol
Exact Mass384.16
IUPAC Name(2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCCC1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N2O3P/c24-21(22-14-16-26-17-15-22)23-13-7-12-20(23)27(25,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
InChIKeyMGSKKJXXWPQCRK-UHFFFAOYSA-N
XLogP2.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Diphenylphosphoryl-1-morpholin-4-ylethanone
CID 608571
4-(1-Diphenylphosphorylbutyl)morpholine
CID 86180321
4-(1-Diphenylphosphorylbut-3-enyl)morpholine
CID 134949003
2-(Diphenylphosphoryl)pyrrolidine-1-carboxamide
CID 139600015
2-(diphenylphosphoryl)-N,N-dimethylpyrrolidine1-carboxamide
CID 139600058
1-{2-[2-(Diphenylphosphoryl)ethoxy]ethyl}piperidine
CID 1885073

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone (CID 139600105) is (2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCCC1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone?
The InChIKey is MGSKKJXXWPQCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N2O3P/c24-21(22-14-16-26-17-15-22)23-13-7-12-20(23)27(25,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2.
What are the key properties of (2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone?
(2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone has a molecular weight of 384.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphorylpyrrolidin-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 139600105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).