(Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile

C10H6N8 — CID 5466521

IUPAC(Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile
SMILESN#C/C(N)=C(C#N)/N=C/C=N/C(C#N)=C(\N)C#N
InChIInChI=1S/C10H6N8/c11-3-7(15)9(5-13)17-1-2-18-10(6-14)8(16)4-12/h1-2H,15-16H2/b9-7-,10-8-,17-1+,18-2+
InChIKeyNSAPBOHMSIOQID-IFRPRURQSA-N
MW238.21 g/mol
LogP-0.44
Rot. Bonds3

About (Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile

(Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile (PubChem CID 5466521) has the molecular formula C10H6N8 and a molecular weight of 238.21 g/mol. Its IUPAC name is (Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile.

Molecular Properties

Compound Name(Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile
PubChem CID5466521
Molecular FormulaC10H6N8
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name(Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile
SMILESN#C/C(N)=C(C#N)/N=C/C=N/C(C#N)=C(\N)C#N
InChIInChI=1S/C10H6N8/c11-3-7(15)9(5-13)17-1-2-18-10(6-14)8(16)4-12/h1-2H,15-16H2/b9-7-,10-8-,17-1+,18-2+
InChIKeyNSAPBOHMSIOQID-IFRPRURQSA-N
XLogP-0.44
TPSA171.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile with MolForge

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Related Compounds

N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide
CID 3005068
(Z)-2-amino-3-[[4-(2-methylpropyl)phenyl]methylideneamino]but-2-enedinitrile
CID 2737671
(Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile
CID 2737740
2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile
CID 3736377
(Z)-2-amino-3-[(3-methoxyphenyl)methylideneamino]but-2-enedinitrile
CID 70420350
(E)-2-amino-3-[(2-oxocyclohexylidene)amino]but-2-enedinitrile
CID 5383712
(Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile
CID 2820725
N'-[(E)-2-amino-1,2-dicyanoethenyl]-3-methylbutanimidamide;hydrochloride
CID 142655276
(Z)-2-amino-3-[[2-chloro-4-(trifluoromethoxy)phenyl]methylideneamino]but-2-enedinitrile
CID 14210516
1-cyano-N'-fluoromethanimidamide
CID 23233998
(Z)-2-amino-3-[[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methylideneamino]but-2-enedinitrile
CID 67863005
N'-[(Z)-1,2-dicyano-2-(hydrazinylmethylideneamino)ethenyl]-N,N-dimethylmethanimidamide
CID 10703419

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile?
The IUPAC name of (Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile (CID 5466521) is (Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile.
What is the SMILES notation for (Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile?
The canonical SMILES for (Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile is N#C/C(N)=C(C#N)/N=C/C=N/C(C#N)=C(\N)C#N.
What is the InChIKey of (Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile?
The InChIKey is NSAPBOHMSIOQID-IFRPRURQSA-N. The full InChI is InChI=1S/C10H6N8/c11-3-7(15)9(5-13)17-1-2-18-10(6-14)8(16)4-12/h1-2H,15-16H2/b9-7-,10-8-,17-1+,18-2+.
What are the key properties of (Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile?
(Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile has a molecular weight of 238.21 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile is sourced from PubChem (CID 5466521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).