potassium 2,2-dicyano-1-(propylamino)ethenolate

C7H8KN3O — CID 140598754

IUPACpotassium 2,2-dicyano-1-(propylamino)ethenolate
SMILESCCCNC([O-])=C(C#N)C#N.[K+]
InChIInChI=1S/C7H9N3O.K/c1-2-3-10-7(11)6(4-8)5-9;/h10-11H,2-3H2,1H3;/q;+1/p-1
InChIKeyZQROYUZCBVIJRQ-UHFFFAOYSA-M
MW189.26 g/mol
LogP-3.39
Rot. Bonds3

About potassium 2,2-dicyano-1-(propylamino)ethenolate

potassium 2,2-dicyano-1-(propylamino)ethenolate (PubChem CID 140598754) has the molecular formula C7H8KN3O and a molecular weight of 189.26 g/mol. Its IUPAC name is potassium 2,2-dicyano-1-(propylamino)ethenolate.

Molecular Properties

Compound Namepotassium 2,2-dicyano-1-(propylamino)ethenolate
PubChem CID140598754
Molecular FormulaC7H8KN3O
Molecular Weight189.26 g/mol
Exact Mass189.03
IUPAC Namepotassium 2,2-dicyano-1-(propylamino)ethenolate
SMILESCCCNC([O-])=C(C#N)C#N.[K+]
InChIInChI=1S/C7H9N3O.K/c1-2-3-10-7(11)6(4-8)5-9;/h10-11H,2-3H2,1H3;/q;+1/p-1
InChIKeyZQROYUZCBVIJRQ-UHFFFAOYSA-M
XLogP-3.39
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-3.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 85885344
CID 85885344
CID 140598755
CID 140598755

Frequently Asked Questions

What is the IUPAC name of potassium 2,2-dicyano-1-(propylamino)ethenolate?
The IUPAC name of potassium 2,2-dicyano-1-(propylamino)ethenolate (CID 140598754) is potassium 2,2-dicyano-1-(propylamino)ethenolate.
What is the SMILES notation for potassium 2,2-dicyano-1-(propylamino)ethenolate?
The canonical SMILES for potassium 2,2-dicyano-1-(propylamino)ethenolate is CCCNC([O-])=C(C#N)C#N.[K+].
What is the InChIKey of potassium 2,2-dicyano-1-(propylamino)ethenolate?
The InChIKey is ZQROYUZCBVIJRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9N3O.K/c1-2-3-10-7(11)6(4-8)5-9;/h10-11H,2-3H2,1H3;/q;+1/p-1.
What are the key properties of potassium 2,2-dicyano-1-(propylamino)ethenolate?
potassium 2,2-dicyano-1-(propylamino)ethenolate has a molecular weight of 189.26 g/mol, XLogP of -3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2-dicyano-1-(propylamino)ethenolate is sourced from PubChem (CID 140598754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).