[2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane

C23H24NP — CID 90267040

IUPAC[2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane
SMILESCN1CCCC1c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NP/c1-24-18-10-16-22(24)21-15-8-9-17-23(21)25(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-9,11-15,17,22H,10,16,18H2,1H3
InChIKeyVTOMKPOGTLSGSN-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.21
Rot. Bonds4

About [2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane

[2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane (PubChem CID 90267040) has the molecular formula C23H24NP and a molecular weight of 345.43 g/mol. Its IUPAC name is [2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane
PubChem CID90267040
Molecular FormulaC23H24NP
Molecular Weight345.43 g/mol
Exact Mass345.16
IUPAC Name[2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane
SMILESCN1CCCC1c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NP/c1-24-18-10-16-22(24)21-15-8-9-17-23(21)25(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-9,11-15,17,22H,10,16,18H2,1H3
InChIKeyVTOMKPOGTLSGSN-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
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-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane (CID 90267040) is [2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane is CN1CCCC1c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane?
The InChIKey is VTOMKPOGTLSGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NP/c1-24-18-10-16-22(24)21-15-8-9-17-23(21)25(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-9,11-15,17,22H,10,16,18H2,1H3.
What are the key properties of [2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane?
[2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane has a molecular weight of 345.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane is sourced from PubChem (CID 90267040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).