(E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine

C21H27N2O2P — CID 10959617

IUPAC(E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine
SMILESCOCC1CCCN1/N=C(\C)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N2O2P/c1-18(22-23-15-9-10-19(23)16-25-2)17-26(24,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19H,9-10,15-17H2,1-2H3/b22-18+
InChIKeyURXONIYCSBBKGX-RELWKKBWSA-N
MW370.43 g/mol
LogP3.49
Rot. Bonds7

About (E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine

(E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine (PubChem CID 10959617) has the molecular formula C21H27N2O2P and a molecular weight of 370.43 g/mol. Its IUPAC name is (E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine.

Molecular Properties

Compound Name(E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine
PubChem CID10959617
Molecular FormulaC21H27N2O2P
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name(E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine
SMILESCOCC1CCCN1/N=C(\C)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N2O2P/c1-18(22-23-15-9-10-19(23)16-25-2)17-26(24,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19H,9-10,15-17H2,1-2H3/b22-18+
InChIKeyURXONIYCSBBKGX-RELWKKBWSA-N
XLogP3.49
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-diphenylphosphoryl-2-(methoxymethyl)pyrrolidine
CID 135016751
(E)-2-diphenylphosphanyl-N-[2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 21635358
Dqwrxivowyfkgx-jsilxlissa-
CID 21635402
Pqxpsprfkcgfhz-lmfshbmrsa-
CID 21635403
CID 10862478
CID 10862478
(Z,2R)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexan-1-imine
CID 10862479
CID 10883782
CID 10883782
(E,2S)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentan-1-imine
CID 10883783
(E)-2-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 10925855
CID 10960853
CID 10960853
(Z,3S)-3-diphenylphosphanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]heptan-4-imine
CID 10960854
CID 11082205
CID 11082205

Frequently Asked Questions

What is the IUPAC name of (E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine?
The IUPAC name of (E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine (CID 10959617) is (E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine.
What is the SMILES notation for (E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine?
The canonical SMILES for (E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine is COCC1CCCN1/N=C(\C)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine?
The InChIKey is URXONIYCSBBKGX-RELWKKBWSA-N. The full InChI is InChI=1S/C21H27N2O2P/c1-18(22-23-15-9-10-19(23)16-25-2)17-26(24,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19H,9-10,15-17H2,1-2H3/b22-18+.
What are the key properties of (E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine?
(E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine has a molecular weight of 370.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diphenylphosphoryl-N-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-imine is sourced from PubChem (CID 10959617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).