[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane

C29H38N2O2P2 — CID 70991009

IUPAC[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane
SMILESCOC[C@H]1CCCN1P(C1=C(P(c2ccccc2)c2ccccc2)CC=C1)N1CCC[C@@H]1COC
InChIInChI=1S/C29H38N2O2P2/c1-32-22-24-12-10-20-30(24)35(31-21-11-13-25(31)23-33-2)29-19-9-18-28(29)34(26-14-5-3-6-15-26)27-16-7-4-8-17-27/h3-9,14-17,19,24-25H,10-13,18,20-23H2,1-2H3/t24-,25-/m1/s1
InChIKeyMTJGCSNCDZUKFF-JWQCQUIFSA-N
MW508.58 g/mol
LogP5.82
Rot. Bonds10

About [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane

[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane (PubChem CID 70991009) has the molecular formula C29H38N2O2P2 and a molecular weight of 508.58 g/mol. Its IUPAC name is [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane
PubChem CID70991009
Molecular FormulaC29H38N2O2P2
Molecular Weight508.58 g/mol
Exact Mass508.24
IUPAC Name[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane
SMILESCOC[C@H]1CCCN1P(C1=C(P(c2ccccc2)c2ccccc2)CC=C1)N1CCC[C@@H]1COC
InChIInChI=1S/C29H38N2O2P2/c1-32-22-24-12-10-20-30(24)35(31-21-11-13-25(31)23-33-2)29-19-9-18-28(29)34(26-14-5-3-6-15-26)27-16-7-4-8-17-27/h3-9,14-17,19,24-25H,10-13,18,20-23H2,1-2H3/t24-,25-/m1/s1
InChIKeyMTJGCSNCDZUKFF-JWQCQUIFSA-N
XLogP5.82
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The IUPAC name of [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane (CID 70991009) is [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane.
What is the SMILES notation for [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The canonical SMILES for [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane is COC[C@H]1CCCN1P(C1=C(P(c2ccccc2)c2ccccc2)CC=C1)N1CCC[C@@H]1COC.
What is the InChIKey of [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The InChIKey is MTJGCSNCDZUKFF-JWQCQUIFSA-N. The full InChI is InChI=1S/C29H38N2O2P2/c1-32-22-24-12-10-20-30(24)35(31-21-11-13-25(31)23-33-2)29-19-9-18-28(29)34(26-14-5-3-6-15-26)27-16-7-4-8-17-27/h3-9,14-17,19,24-25H,10-13,18,20-23H2,1-2H3/t24-,25-/m1/s1.
What are the key properties of [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane?
[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane has a molecular weight of 508.58 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopenta-1,3-dien-1-yl]-diphenylphosphane is sourced from PubChem (CID 70991009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).