(E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine

C12H20NO4P — CID 12515128

IUPAC(E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine
SMILESCCOP(=O)(OCC)/C(=C/c1ccco1)N(C)C
InChIInChI=1S/C12H20NO4P/c1-5-16-18(14,17-6-2)12(13(3)4)10-11-8-7-9-15-11/h7-10H,5-6H2,1-4H3/b12-10+
InChIKeyMRXCFRMWYXLVMV-ZRDIBKRKSA-N
MW273.27 g/mol
LogP3.41
Rot. Bonds7

About (E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine

(E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine (PubChem CID 12515128) has the molecular formula C12H20NO4P and a molecular weight of 273.27 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine
PubChem CID12515128
Molecular FormulaC12H20NO4P
Molecular Weight273.27 g/mol
Exact Mass273.11
IUPAC Name(E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine
SMILESCCOP(=O)(OCC)/C(=C/c1ccco1)N(C)C
InChIInChI=1S/C12H20NO4P/c1-5-16-18(14,17-6-2)12(13(3)4)10-11-8-7-9-15-11/h7-10H,5-6H2,1-4H3/b12-10+
InChIKeyMRXCFRMWYXLVMV-ZRDIBKRKSA-N
XLogP3.41
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine?
The IUPAC name of (E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine (CID 12515128) is (E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine?
The canonical SMILES for (E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine is CCOP(=O)(OCC)/C(=C/c1ccco1)N(C)C.
What is the InChIKey of (E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine?
The InChIKey is MRXCFRMWYXLVMV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H20NO4P/c1-5-16-18(14,17-6-2)12(13(3)4)10-11-8-7-9-15-11/h7-10H,5-6H2,1-4H3/b12-10+.
What are the key properties of (E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine?
(E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine has a molecular weight of 273.27 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine is sourced from PubChem (CID 12515128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).