(E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium

C8H17N3O4P+ — CID 11448041

IUPAC(E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium
SMILESCCOP(=O)(OCC)/C([N+]#N)=C(/O)N(C)C
InChIInChI=1S/C8H16N3O4P/c1-5-14-16(13,15-6-2)7(10-9)8(12)11(3)4/h5-6H2,1-4H3/p+1
InChIKeyNKZJZFATLQWXGZ-UHFFFAOYSA-O
MW250.21 g/mol
LogP2.35
Rot. Bonds6

About (E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium

(E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium (PubChem CID 11448041) has the molecular formula C8H17N3O4P+ and a molecular weight of 250.21 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium
PubChem CID11448041
Molecular FormulaC8H17N3O4P+
Molecular Weight250.21 g/mol
Exact Mass250.10
IUPAC Name(E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium
SMILESCCOP(=O)(OCC)/C([N+]#N)=C(/O)N(C)C
InChIInChI=1S/C8H16N3O4P/c1-5-14-16(13,15-6-2)7(10-9)8(12)11(3)4/h5-6H2,1-4H3/p+1
InChIKeyNKZJZFATLQWXGZ-UHFFFAOYSA-O
XLogP2.35
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium?
The IUPAC name of (E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium (CID 11448041) is (E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium?
The canonical SMILES for (E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium is CCOP(=O)(OCC)/C([N+]#N)=C(/O)N(C)C.
What is the InChIKey of (E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium?
The InChIKey is NKZJZFATLQWXGZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N3O4P/c1-5-14-16(13,15-6-2)7(10-9)8(12)11(3)4/h5-6H2,1-4H3/p+1.
What are the key properties of (E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium?
(E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium has a molecular weight of 250.21 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-2-(dimethylamino)-2-hydroxyethenediazonium is sourced from PubChem (CID 11448041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).