2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide

C19H23N2OP — CID 70134867

IUPAC2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCCC1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N2OP/c1-20-19(22)21-14-8-9-16(21)15-23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16H,8-9,14-15H2,1H3,(H,20,22)
InChIKeyUZIKBSMIVXNDHT-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.92
Rot. Bonds4

About 2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide

2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide (PubChem CID 70134867) has the molecular formula C19H23N2OP and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide
PubChem CID70134867
Molecular FormulaC19H23N2OP
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCCC1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N2OP/c1-20-19(22)21-14-8-9-16(21)15-23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16H,8-9,14-15H2,1H3,(H,20,22)
InChIKeyUZIKBSMIVXNDHT-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide (CID 70134867) is 2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide is CNC(=O)N1CCCC1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide?
The InChIKey is UZIKBSMIVXNDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2OP/c1-20-19(22)21-14-8-9-16(21)15-23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16H,8-9,14-15H2,1H3,(H,20,22).
What are the key properties of 2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide?
2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenylphosphanylmethyl)-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 70134867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).