butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate

C34H37NO2P2 — CID 14641277

IUPACbutyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(P(c2ccccc2)c2ccccc2)CC1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37NO2P2/c1-2-3-24-37-34(36)35-26-33(39(31-20-12-6-13-21-31)32-22-14-7-15-23-32)25-28(35)27-38(29-16-8-4-9-17-29)30-18-10-5-11-19-30/h4-23,28,33H,2-3,24-27H2,1H3
InChIKeyAMZTWVMARTWHPA-UHFFFAOYSA-N
MW553.62 g/mol
LogP6.63
Rot. Bonds10

About butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate

butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate (PubChem CID 14641277) has the molecular formula C34H37NO2P2 and a molecular weight of 553.62 g/mol. Its IUPAC name is butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
PubChem CID14641277
Molecular FormulaC34H37NO2P2
Molecular Weight553.62 g/mol
Exact Mass553.23
IUPAC Namebutyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(P(c2ccccc2)c2ccccc2)CC1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37NO2P2/c1-2-3-24-37-34(36)35-26-33(39(31-20-12-6-13-21-31)32-22-14-7-15-23-32)25-28(35)27-38(29-16-8-4-9-17-29)30-18-10-5-11-19-30/h4-23,28,33H,2-3,24-27H2,1H3
InChIKeyAMZTWVMARTWHPA-UHFFFAOYSA-N
XLogP6.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.62
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 10209545
CID 10209545
CID 4428041
CID 4428041
CID 11731422
CID 11731422
CID 18607034
CID 18607034
CID 88907993
CID 88907993
CID 88027752
CID 88027752
CID 85298166
CID 85298166
CID 156025044
CID 156025044
CID 176441838
CID 176441838
CID 11535256
CID 11535256
CID 4643313
CID 4643313
CID 13384600
CID 13384600

Frequently Asked Questions

What is the IUPAC name of butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate (CID 14641277) is butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate is CCCCOC(=O)N1CC(P(c2ccccc2)c2ccccc2)CC1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is AMZTWVMARTWHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO2P2/c1-2-3-24-37-34(36)35-26-33(39(31-20-12-6-13-21-31)32-22-14-7-15-23-32)25-28(35)27-38(29-16-8-4-9-17-29)30-18-10-5-11-19-30/h4-23,28,33H,2-3,24-27H2,1H3.
What are the key properties of butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate?
butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 553.62 g/mol, XLogP of 6.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 14641277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).