potassium 2-(hydroxymethylidene)butanedinitrile

C5H3KN2O — CID 172698078

IUPACpotassium 2-(hydroxymethylidene)butanedinitrile
SMILESN#C[CH-]C(C#N)=CO.[K+]
InChIInChI=1S/C5H3N2O.K/c6-2-1-5(3-7)4-8;/h1,4,8H;/q-1;+1
InChIKeyFIQWIGBWJZXVSY-UHFFFAOYSA-N
MW146.19 g/mol
LogP-2.32
Rot. Bonds1

About potassium 2-(hydroxymethylidene)butanedinitrile

potassium 2-(hydroxymethylidene)butanedinitrile (PubChem CID 172698078) has the molecular formula C5H3KN2O and a molecular weight of 146.19 g/mol. Its IUPAC name is potassium 2-(hydroxymethylidene)butanedinitrile.

Molecular Properties

Compound Namepotassium 2-(hydroxymethylidene)butanedinitrile
PubChem CID172698078
Molecular FormulaC5H3KN2O
Molecular Weight146.19 g/mol
Exact Mass145.99
IUPAC Namepotassium 2-(hydroxymethylidene)butanedinitrile
SMILESN#C[CH-]C(C#N)=CO.[K+]
InChIInChI=1S/C5H3N2O.K/c6-2-1-5(3-7)4-8;/h1,4,8H;/q-1;+1
InChIKeyFIQWIGBWJZXVSY-UHFFFAOYSA-N
XLogP-2.32
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-2.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethylidene)propanedinitrile
CID 11105312
3-amino-2-(aminomethyl)prop-2-enenitrile
CID 140565404
3-phosphanylprop-2-enenitrile
CID 86203700
(E)-3-amino-2-(hydroxymethyl)prop-2-enenitrile
CID 55290435
(E)-2-cyano-3-hydroxyprop-2-enoic acid
CID 59895711
N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide
CID 58361834
2-hydroxyacetonitrile;yttrium
CID 58851179
CID 131868800
CID 131868800
2-cyano-3-hydroxyprop-2-enamide
CID 3286231
(Z)-2-cyano-3-hydroxyprop-2-enamide
CID 45050446
sodium;hydride;3-hydroxyprop-2-enenitrile
CID 173433697
dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile
CID 173458500

Frequently Asked Questions

What is the IUPAC name of potassium 2-(hydroxymethylidene)butanedinitrile?
The IUPAC name of potassium 2-(hydroxymethylidene)butanedinitrile (CID 172698078) is potassium 2-(hydroxymethylidene)butanedinitrile.
What is the SMILES notation for potassium 2-(hydroxymethylidene)butanedinitrile?
The canonical SMILES for potassium 2-(hydroxymethylidene)butanedinitrile is N#C[CH-]C(C#N)=CO.[K+].
What is the InChIKey of potassium 2-(hydroxymethylidene)butanedinitrile?
The InChIKey is FIQWIGBWJZXVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N2O.K/c6-2-1-5(3-7)4-8;/h1,4,8H;/q-1;+1.
What are the key properties of potassium 2-(hydroxymethylidene)butanedinitrile?
potassium 2-(hydroxymethylidene)butanedinitrile has a molecular weight of 146.19 g/mol, XLogP of -2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(hydroxymethylidene)butanedinitrile is sourced from PubChem (CID 172698078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).