(NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine

C8H15N2O6P — CID 139664431

IUPAC(NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine
SMILESCCOP(=O)(OCC)C(/C=C/C[N+](=O)[O-])=N\O
InChIInChI=1S/C8H15N2O6P/c1-3-15-17(14,16-4-2)8(9-11)6-5-7-10(12)13/h5-6,11H,3-4,7H2,1-2H3/b6-5+,9-8-
InChIKeyLIFKFDPLNAENDL-NKEWZBFXSA-N
MW266.19 g/mol
LogP1.87
Rot. Bonds8

About (NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine

(NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine (PubChem CID 139664431) has the molecular formula C8H15N2O6P and a molecular weight of 266.19 g/mol. Its IUPAC name is (NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine
PubChem CID139664431
Molecular FormulaC8H15N2O6P
Molecular Weight266.19 g/mol
Exact Mass266.07
IUPAC Name(NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine
SMILESCCOP(=O)(OCC)C(/C=C/C[N+](=O)[O-])=N\O
InChIInChI=1S/C8H15N2O6P/c1-3-15-17(14,16-4-2)8(9-11)6-5-7-10(12)13/h5-6,11H,3-4,7H2,1-2H3/b6-5+,9-8-
InChIKeyLIFKFDPLNAENDL-NKEWZBFXSA-N
XLogP1.87
TPSA111.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine (CID 139664431) is (NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine is CCOP(=O)(OCC)C(/C=C/C[N+](=O)[O-])=N\O.
What is the InChIKey of (NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine?
The InChIKey is LIFKFDPLNAENDL-NKEWZBFXSA-N. The full InChI is InChI=1S/C8H15N2O6P/c1-3-15-17(14,16-4-2)8(9-11)6-5-7-10(12)13/h5-6,11H,3-4,7H2,1-2H3/b6-5+,9-8-.
What are the key properties of (NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine?
(NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine has a molecular weight of 266.19 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-1-diethoxyphosphoryl-4-nitrobut-2-enylidene]hydroxylamine is sourced from PubChem (CID 139664431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).