(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide

C10H8N4 — CID 4640615

IUPAC(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
SMILESCC1=C/C(=N\C#N)C(C)=C/C1=N\C#N
InChIInChI=1S/C10H8N4/c1-7-3-10(14-6-12)8(2)4-9(7)13-5-11/h3-4H,1-2H3/b13-9+,14-10+
InChIKeyGJCNOUWCQVLIEI-UTLPMFLDSA-N
MW184.20 g/mol
LogP1.74
Rot. Bonds

About (4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide

(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide (PubChem CID 4640615) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is (4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide.

Molecular Properties

Compound Name(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
PubChem CID4640615
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
SMILESCC1=C/C(=N\C#N)C(C)=C/C1=N\C#N
InChIInChI=1S/C10H8N4/c1-7-3-10(14-6-12)8(2)4-9(7)13-5-11/h3-4H,1-2H3/b13-9+,14-10+
InChIKeyGJCNOUWCQVLIEI-UTLPMFLDSA-N
XLogP1.74
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-Cyanoimino-2-methyl-5-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
CID 640486
(4-Cyanoimino-5-fluoro-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134936496
(4-Cyanoimino-2,3-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13542863
(2-Chloro-4-cyanoimino-3-ethyl-6-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 134937996
[4-Cyanoimino-2,5-bis(fluoromethyl)cyclohexa-2,5-dien-1-ylidene]cyanamide
CID 10704130
(4-Cyanoimino-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13329895
(4-Cyanoimino-2-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13542862
(4-Cyanoimino-2,6-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13542864
(4-Cyanoimino-2,3,5-trimethylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13542865
[(1E,4E)-2-Chloro-5-methyl-2,5-cyclohexadiene-1,4-diylidene]biscyanamide
CID 13542870
(2-Bromo-4-cyanoimino-5-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13998309
(4-Cyanoimino-2-iodo-5-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 13998311

Frequently Asked Questions

What is the IUPAC name of (4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
The IUPAC name of (4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide (CID 4640615) is (4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide.
What is the SMILES notation for (4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
The canonical SMILES for (4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide is CC1=C/C(=N\C#N)C(C)=C/C1=N\C#N.
What is the InChIKey of (4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
The InChIKey is GJCNOUWCQVLIEI-UTLPMFLDSA-N. The full InChI is InChI=1S/C10H8N4/c1-7-3-10(14-6-12)8(2)4-9(7)13-5-11/h3-4H,1-2H3/b13-9+,14-10+.
What are the key properties of (4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide?
(4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide has a molecular weight of 184.20 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanoimino-2,5-dimethylcyclohexa-2,5-dien-1-ylidene)cyanamide is sourced from PubChem (CID 4640615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).