copper(1+);hydrogen sulfate;prop-2-enenitrile

C3H4CuNO4S — CID 19354373

IUPACcopper(1+);hydrogen sulfate;prop-2-enenitrile
SMILESC=CC#N.O=S(=O)([O-])O.[Cu+]
InChIInChI=1S/C3H3N.Cu.H2O4S/c1-2-3-4;;1-5(2,3)4/h2H,1H2;;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyOVMYHNXHHLBKQL-UHFFFAOYSA-M
MW213.68 g/mol
LogP-0.30
Rot. Bonds

About copper(1+);hydrogen sulfate;prop-2-enenitrile

copper(1+);hydrogen sulfate;prop-2-enenitrile (PubChem CID 19354373) has the molecular formula C3H4CuNO4S and a molecular weight of 213.68 g/mol. Its IUPAC name is copper(1+);hydrogen sulfate;prop-2-enenitrile.

Molecular Properties

Compound Namecopper(1+);hydrogen sulfate;prop-2-enenitrile
PubChem CID19354373
Molecular FormulaC3H4CuNO4S
Molecular Weight213.68 g/mol
Exact Mass212.92
IUPAC Namecopper(1+);hydrogen sulfate;prop-2-enenitrile
SMILESC=CC#N.O=S(=O)([O-])O.[Cu+]
InChIInChI=1S/C3H3N.Cu.H2O4S/c1-2-3-4;;1-5(2,3)4/h2H,1H2;;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyOVMYHNXHHLBKQL-UHFFFAOYSA-M
XLogP-0.30
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

dialuminum;prop-2-enenitrile;trisulfate
CID 174931738
prop-2-enenitrile;dihydrate
CID 175150408
silver;prop-2-enenitrile;nitrate
CID 161335917
nitric acid;prop-2-enenitrile
CID 157263190
methanol;prop-2-enenitrile
CID 19700097
CID 159057552
CID 159057552
CID 163776931
CID 163776931
platinum;prop-2-enenitrile
CID 159226691
prop-2-enenitrile;selane
CID 175541526
copper;prop-2-enenitrile;diacetate
CID 175223345
acetic acid;prop-2-enenitrile
CID 87100572
prop-2-enenitrile;1,1,2,2-tetrafluoroethene
CID 174809143

Frequently Asked Questions

What is the IUPAC name of copper(1+);hydrogen sulfate;prop-2-enenitrile?
The IUPAC name of copper(1+);hydrogen sulfate;prop-2-enenitrile (CID 19354373) is copper(1+);hydrogen sulfate;prop-2-enenitrile.
What is the SMILES notation for copper(1+);hydrogen sulfate;prop-2-enenitrile?
The canonical SMILES for copper(1+);hydrogen sulfate;prop-2-enenitrile is C=CC#N.O=S(=O)([O-])O.[Cu+].
What is the InChIKey of copper(1+);hydrogen sulfate;prop-2-enenitrile?
The InChIKey is OVMYHNXHHLBKQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3N.Cu.H2O4S/c1-2-3-4;;1-5(2,3)4/h2H,1H2;;(H2,1,2,3,4)/q;+1;/p-1.
What are the key properties of copper(1+);hydrogen sulfate;prop-2-enenitrile?
copper(1+);hydrogen sulfate;prop-2-enenitrile has a molecular weight of 213.68 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);hydrogen sulfate;prop-2-enenitrile is sourced from PubChem (CID 19354373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).