N'-(1,2-dicyanoethenyl)methanimidamide

C5H4N4 — CID 173463412

IUPACN'-(1,2-dicyanoethenyl)methanimidamide
SMILESN#CC=C(C#N)/N=C/N
InChIInChI=1S/C5H4N4/c6-2-1-5(3-7)9-4-8/h1,4H,(H2,8,9)
InChIKeyFOEWLEWMZCSLGY-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.10
Rot. Bonds1

About N'-(1,2-dicyanoethenyl)methanimidamide

N'-(1,2-dicyanoethenyl)methanimidamide (PubChem CID 173463412) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is N'-(1,2-dicyanoethenyl)methanimidamide.

Molecular Properties

Compound NameN'-(1,2-dicyanoethenyl)methanimidamide
PubChem CID173463412
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC NameN'-(1,2-dicyanoethenyl)methanimidamide
SMILESN#CC=C(C#N)/N=C/N
InChIInChI=1S/C5H4N4/c6-2-1-5(3-7)9-4-8/h1,4H,(H2,8,9)
InChIKeyFOEWLEWMZCSLGY-UHFFFAOYSA-N
XLogP-0.10
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide
CID 3005068
2-bromobut-2-enedinitrile
CID 57048227
(E)-2-hydroxybut-2-enedinitrile
CID 87683842
2,3-dicyanoprop-2-enamide
CID 173308718
3,3-dichloroprop-2-enenitrile
CID 11535554
3-methylbut-2-enenitrile
CID 178069797
N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide
CID 90337312
N'-[(Z)-1,2-dicyano-2-(hydrazinylmethylideneamino)ethenyl]-N,N-dimethylmethanimidamide
CID 10703419
sodium;3,3-bis(sulfanyl)prop-2-enenitrile;hydride
CID 174791181
1-cyano-N'-fluoromethanimidamide
CID 23233998
(Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile
CID 5466521
4,4,4-trifluoro-3-(trifluoromethyl)but-2-enenitrile
CID 12006793

Frequently Asked Questions

What is the IUPAC name of N'-(1,2-dicyanoethenyl)methanimidamide?
The IUPAC name of N'-(1,2-dicyanoethenyl)methanimidamide (CID 173463412) is N'-(1,2-dicyanoethenyl)methanimidamide.
What is the SMILES notation for N'-(1,2-dicyanoethenyl)methanimidamide?
The canonical SMILES for N'-(1,2-dicyanoethenyl)methanimidamide is N#CC=C(C#N)/N=C/N.
What is the InChIKey of N'-(1,2-dicyanoethenyl)methanimidamide?
The InChIKey is FOEWLEWMZCSLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c6-2-1-5(3-7)9-4-8/h1,4H,(H2,8,9).
What are the key properties of N'-(1,2-dicyanoethenyl)methanimidamide?
N'-(1,2-dicyanoethenyl)methanimidamide has a molecular weight of 120.11 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-dicyanoethenyl)methanimidamide is sourced from PubChem (CID 173463412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).