potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile

C14H8ClKN4 — CID 71433859

IUPACpotassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile
SMILESN#CC(C#N)=CC1=C(Cl)C(=C[C-](C#N)C#N)CCC1.[K+]
InChIInChI=1S/C14H8ClN4.K/c15-14-12(4-10(6-16)7-17)2-1-3-13(14)5-11(8-18)9-19;/h4-5H,1-3H2;/q-1;+1
InChIKeyRDMQASZXPHAORJ-UHFFFAOYSA-N
MW306.80 g/mol
LogP0.19
Rot. Bonds2

About potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile

potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile (PubChem CID 71433859) has the molecular formula C14H8ClKN4 and a molecular weight of 306.80 g/mol. Its IUPAC name is potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile.

Molecular Properties

Compound Namepotassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile
PubChem CID71433859
Molecular FormulaC14H8ClKN4
Molecular Weight306.80 g/mol
Exact Mass306.01
IUPAC Namepotassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile
SMILESN#CC(C#N)=CC1=C(Cl)C(=C[C-](C#N)C#N)CCC1.[K+]
InChIInChI=1S/C14H8ClN4.K/c15-14-12(4-10(6-16)7-17)2-1-3-13(14)5-11(8-18)9-19;/h4-5H,1-3H2;/q-1;+1
InChIKeyRDMQASZXPHAORJ-UHFFFAOYSA-N
XLogP0.19
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile with MolForge

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Related Compounds

2-Chloro-5-methylcyclohexa-1,5-diene-1-carbonitrile
CID 142824297
2-[3-(1-Chloroethenyl)-2-ethenylcyclopent-2-en-1-ylidene]propanedinitrile
CID 168881330
2-[[2-Chloro-3-(2,2-dicyanoethenyl)cyclopent-2-en-1-ylidene]methyl]propanedinitrile
CID 3083028
2-[(E)-[2-chloro-3-(2,2-dicyanoethenyl)cyclopent-2-en-1-ylidene]methyl]propanedinitrile
CID 6164396
2-[[(3E)-2-chloro-3-(2-cyano-3-iminoprop-2-enylidene)cyclohexen-1-yl]methylidene]propanedinitrile
CID 16211090
Potassium (e)-2-(2-chloro-3-(2,2-dicyanovinyl)cyclohex-2-en-1-ylidene)-1,1-dicyanoethan-1-ide
CID 23689364
2-[(E)-[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile
CID 23689365
potassium [(3E)-3-[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]-2-cyanoprop-1-enylidene]azanide
CID 23700824
2-[[2-Chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile
CID 71433860
2-[[2-Chloro-3-(2-cyano-3-iminoprop-2-enylidene)cyclohexen-1-yl]methylidene]propanedinitrile
CID 74088201
potassium (3Z,5E)-4-chloro-3-propylhepta-1,3,5-triene-1,1,7,7-tetracarbonitrile
CID 77519873
(3Z,5E)-4-chloro-3-propylhepta-1,3,5-triene-1,1,7,7-tetracarbonitrile
CID 77519874

Frequently Asked Questions

What is the IUPAC name of potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile?
The IUPAC name of potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile (CID 71433859) is potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile.
What is the SMILES notation for potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile?
The canonical SMILES for potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile is N#CC(C#N)=CC1=C(Cl)C(=C[C-](C#N)C#N)CCC1.[K+].
What is the InChIKey of potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile?
The InChIKey is RDMQASZXPHAORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN4.K/c15-14-12(4-10(6-16)7-17)2-1-3-13(14)5-11(8-18)9-19;/h4-5H,1-3H2;/q-1;+1.
What are the key properties of potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile?
potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile has a molecular weight of 306.80 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclohex-2-en-1-ylidene]methyl]propanedinitrile is sourced from PubChem (CID 71433859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).