4-(1-diphenylphosphorylbut-3-enyl)morpholine

C20H24NO2P — CID 134949003

IUPAC4-(1-diphenylphosphorylbut-3-enyl)morpholine
SMILESC=CCC(N1CCOCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24NO2P/c1-2-9-20(21-14-16-23-17-15-21)24(22,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h2-8,10-13,20H,1,9,14-17H2
InChIKeyQBBORNCTHLSJEU-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.23
Rot. Bonds6

About 4-(1-diphenylphosphorylbut-3-enyl)morpholine

4-(1-diphenylphosphorylbut-3-enyl)morpholine (PubChem CID 134949003) has the molecular formula C20H24NO2P and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-(1-diphenylphosphorylbut-3-enyl)morpholine.

Molecular Properties

Compound Name4-(1-diphenylphosphorylbut-3-enyl)morpholine
PubChem CID134949003
Molecular FormulaC20H24NO2P
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-(1-diphenylphosphorylbut-3-enyl)morpholine
SMILESC=CCC(N1CCOCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24NO2P/c1-2-9-20(21-14-16-23-17-15-21)24(22,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h2-8,10-13,20H,1,9,14-17H2
InChIKeyQBBORNCTHLSJEU-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-diphenylphosphorylbut-3-enyl)morpholine?
The IUPAC name of 4-(1-diphenylphosphorylbut-3-enyl)morpholine (CID 134949003) is 4-(1-diphenylphosphorylbut-3-enyl)morpholine.
What is the SMILES notation for 4-(1-diphenylphosphorylbut-3-enyl)morpholine?
The canonical SMILES for 4-(1-diphenylphosphorylbut-3-enyl)morpholine is C=CCC(N1CCOCC1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(1-diphenylphosphorylbut-3-enyl)morpholine?
The InChIKey is QBBORNCTHLSJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24NO2P/c1-2-9-20(21-14-16-23-17-15-21)24(22,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h2-8,10-13,20H,1,9,14-17H2.
What are the key properties of 4-(1-diphenylphosphorylbut-3-enyl)morpholine?
4-(1-diphenylphosphorylbut-3-enyl)morpholine has a molecular weight of 341.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-diphenylphosphorylbut-3-enyl)morpholine is sourced from PubChem (CID 134949003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).