[(Z)-2-cyanoethenyl] phosphate

C3H2NO4P-2 — CID 135040715

IUPAC[(Z)-2-cyanoethenyl] phosphate
SMILESN#C/C=C\OP(=O)([O-])[O-]
InChIInChI=1S/C3H4NO4P/c4-2-1-3-8-9(5,6)7/h1,3H,(H2,5,6,7)/p-2/b3-1-
InChIKeyXVFKTSOTYYSDGQ-IWQZZHSRSA-L
MW147.03 g/mol
LogP-1.13
Rot. Bonds2

About [(Z)-2-cyanoethenyl] phosphate

[(Z)-2-cyanoethenyl] phosphate (PubChem CID 135040715) has the molecular formula C3H2NO4P-2 and a molecular weight of 147.03 g/mol. Its IUPAC name is [(Z)-2-cyanoethenyl] phosphate.

Molecular Properties

Compound Name[(Z)-2-cyanoethenyl] phosphate
PubChem CID135040715
Molecular FormulaC3H2NO4P-2
Molecular Weight147.03 g/mol
Exact Mass146.97
IUPAC Name[(Z)-2-cyanoethenyl] phosphate
SMILESN#C/C=C\OP(=O)([O-])[O-]
InChIInChI=1S/C3H4NO4P/c4-2-1-3-8-9(5,6)7/h1,3H,(H2,5,6,7)/p-2/b3-1-
InChIKeyXVFKTSOTYYSDGQ-IWQZZHSRSA-L
XLogP-1.13
TPSA96.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.03
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dilithium;prop-1-enyl phosphate
CID 177307945
3-methoxyprop-2-enenitrile
CID 2723755
trisodium;phosphate;dodecahydrate
CID 516998
trisodium;phosphate;pentahydrate
CID 19993446
(E)-3-ethenoxyprop-2-enenitrile
CID 163756641
formic acid;formyl phosphate
CID 161290202
phosphonato phosphate;decahydrate
CID 22385493
sodium;acetonitrile;hydron;phosphate
CID 173290031
aluminum [(E)-3-ethoxyprop-1-enyl] phosphate
CID 20550510
3-(cyanomethoxy)prop-2-enenitrile
CID 76755068
tetrasodium;dioxido-oxo-phosphonato-λ5-phosphane;dodecahydrate
CID 173423706
sodium;oxido thiocyanate;phosphate
CID 71548576

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-cyanoethenyl] phosphate?
The IUPAC name of [(Z)-2-cyanoethenyl] phosphate (CID 135040715) is [(Z)-2-cyanoethenyl] phosphate.
What is the SMILES notation for [(Z)-2-cyanoethenyl] phosphate?
The canonical SMILES for [(Z)-2-cyanoethenyl] phosphate is N#C/C=C\OP(=O)([O-])[O-].
What is the InChIKey of [(Z)-2-cyanoethenyl] phosphate?
The InChIKey is XVFKTSOTYYSDGQ-IWQZZHSRSA-L. The full InChI is InChI=1S/C3H4NO4P/c4-2-1-3-8-9(5,6)7/h1,3H,(H2,5,6,7)/p-2/b3-1-.
What are the key properties of [(Z)-2-cyanoethenyl] phosphate?
[(Z)-2-cyanoethenyl] phosphate has a molecular weight of 147.03 g/mol, XLogP of -1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-cyanoethenyl] phosphate is sourced from PubChem (CID 135040715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).