(1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate

C13H24NO6P — CID 14343841

IUPAC(1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate
SMILESCCOP(=O)(OCC)C(OC(=O)N1CCOCC1)=C(C)C
InChIInChI=1S/C13H24NO6P/c1-5-18-21(16,19-6-2)12(11(3)4)20-13(15)14-7-9-17-10-8-14/h5-10H2,1-4H3
InChIKeyGZPFALABOPCPLL-UHFFFAOYSA-N
MW321.31 g/mol
LogP2.97
Rot. Bonds6

About (1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate

(1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate (PubChem CID 14343841) has the molecular formula C13H24NO6P and a molecular weight of 321.31 g/mol. Its IUPAC name is (1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate
PubChem CID14343841
Molecular FormulaC13H24NO6P
Molecular Weight321.31 g/mol
Exact Mass321.13
IUPAC Name(1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate
SMILESCCOP(=O)(OCC)C(OC(=O)N1CCOCC1)=C(C)C
InChIInChI=1S/C13H24NO6P/c1-5-18-21(16,19-6-2)12(11(3)4)20-13(15)14-7-9-17-10-8-14/h5-10H2,1-4H3
InChIKeyGZPFALABOPCPLL-UHFFFAOYSA-N
XLogP2.97
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate?
The IUPAC name of (1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate (CID 14343841) is (1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate.
What is the SMILES notation for (1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate?
The canonical SMILES for (1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate is CCOP(=O)(OCC)C(OC(=O)N1CCOCC1)=C(C)C.
What is the InChIKey of (1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate?
The InChIKey is GZPFALABOPCPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24NO6P/c1-5-18-21(16,19-6-2)12(11(3)4)20-13(15)14-7-9-17-10-8-14/h5-10H2,1-4H3.
What are the key properties of (1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate?
(1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate has a molecular weight of 321.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diethoxyphosphoryl-2-methylprop-1-enyl) morpholine-4-carboxylate is sourced from PubChem (CID 14343841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).