diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane

C17H20NP — CID 11272693

IUPACdiphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane
SMILESc1ccc(P(C[C@@H]2CCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H20NP/c1-3-9-16(10-4-1)19(14-15-8-7-13-18-15)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2/t15-/m0/s1
InChIKeyIWRBGJKCDORZHK-HNNXBMFYSA-N
MW269.33 g/mol
LogP2.87
Rot. Bonds4

About diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane

diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane (PubChem CID 11272693) has the molecular formula C17H20NP and a molecular weight of 269.33 g/mol. Its IUPAC name is diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane.

Molecular Properties

Compound Namediphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane
PubChem CID11272693
Molecular FormulaC17H20NP
Molecular Weight269.33 g/mol
Exact Mass269.13
IUPAC Namediphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane
SMILESc1ccc(P(C[C@@H]2CCCN2)c2ccccc2)cc1
InChIInChI=1S/C17H20NP/c1-3-9-16(10-4-1)19(14-15-8-7-13-18-15)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2/t15-/m0/s1
InChIKeyIWRBGJKCDORZHK-HNNXBMFYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.87
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 diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane?
The IUPAC name of diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane (CID 11272693) is diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane.
What is the SMILES notation for diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane?
The canonical SMILES for diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane is c1ccc(P(C[C@@H]2CCCN2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane?
The InChIKey is IWRBGJKCDORZHK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20NP/c1-3-9-16(10-4-1)19(14-15-8-7-13-18-15)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2/t15-/m0/s1.
What are the key properties of diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane?
diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane has a molecular weight of 269.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[[(2S)-pyrrolidin-2-yl]methyl]phosphane is sourced from PubChem (CID 11272693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).