2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine

C24H26NOP — CID 164683445

IUPAC2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine
SMILESCc1ccc(N2C(C)CCC2P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26NOP/c1-19-13-16-21(17-14-19)25-20(2)15-18-24(25)27(26,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,16-17,20,24H,15,18H2,1-2H3
InChIKeyTZLXAZHOVBZNNQ-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.32
Rot. Bonds4

About 2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine

2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine (PubChem CID 164683445) has the molecular formula C24H26NOP and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine
PubChem CID164683445
Molecular FormulaC24H26NOP
Molecular Weight375.45 g/mol
Exact Mass375.18
IUPAC Name2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine
SMILESCc1ccc(N2C(C)CCC2P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26NOP/c1-19-13-16-21(17-14-19)25-20(2)15-18-24(25)27(26,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,16-17,20,24H,15,18H2,1-2H3
InChIKeyTZLXAZHOVBZNNQ-UHFFFAOYSA-N
XLogP5.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
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 2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine?
The IUPAC name of 2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine (CID 164683445) is 2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine?
The canonical SMILES for 2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine is Cc1ccc(N2C(C)CCC2P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine?
The InChIKey is TZLXAZHOVBZNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26NOP/c1-19-13-16-21(17-14-19)25-20(2)15-18-24(25)27(26,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,16-17,20,24H,15,18H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine?
2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine has a molecular weight of 375.45 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-5-methyl-1-(4-methylphenyl)pyrrolidine is sourced from PubChem (CID 164683445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).