(7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide

C11H8N4 — CID 15321802

IUPAC(7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide
SMILESN#C/N=C1\C=C/C(=N\C#N)C2=C1CCC2
InChIInChI=1S/C11H8N4/c12-6-14-10-4-5-11(15-7-13)9-3-1-2-8(9)10/h4-5H,1-3H2/b14-10+,15-11+
InChIKeyNALIQRARZBLCJN-WFYKWJGLSA-N
MW196.21 g/mol
LogP1.88
Rot. Bonds

About (7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide

(7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide (PubChem CID 15321802) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is (7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide.

Molecular Properties

Compound Name(7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide
PubChem CID15321802
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name(7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide
SMILESN#C/N=C1\C=C/C(=N\C#N)C2=C1CCC2
InChIInChI=1S/C11H8N4/c12-6-14-10-4-5-11(15-7-13)9-3-1-2-8(9)10/h4-5H,1-3H2/b14-10+,15-11+
InChIKeyNALIQRARZBLCJN-WFYKWJGLSA-N
XLogP1.88
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.88
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-octadecylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 14597092
4-Butyl-2,2-dimethylbenzimidazole
CID 20537660
(4-Cyanoimino-2-prop-2-enylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 57224890
[2-[4-[3,6-Bis(cyanoimino)cyclohexa-1,4-dien-1-yl]butyl]-4-cyanoiminocyclohexa-2,5-dien-1-ylidene]cyanamide
CID 10595046
[2-[3-[3,6-Bis(cyanoimino)cyclohexa-1,4-dien-1-yl]propyl]-4-cyanoimino-5-methylcyclohexa-2,5-dien-1-ylidene]cyanamide
CID 10666570
[2-[2-[3,6-Bis(cyanoimino)cyclohexa-1,4-dien-1-yl]ethyl]-4-cyanoiminocyclohexa-2,5-dien-1-ylidene]cyanamide
CID 10688377
[2-[3-[3,6-Bis(cyanoimino)cyclohexa-1,4-dien-1-yl]propyl]-4-cyanoiminocyclohexa-2,5-dien-1-ylidene]cyanamide
CID 10689316
[2-[6-[3,6-Bis(cyanoimino)cyclohexa-1,4-dien-1-yl]hexyl]-4-cyanoiminocyclohexa-2,5-dien-1-ylidene]cyanamide
CID 10692018
[2-[5-[3,6-Bis(cyanoimino)cyclohexa-1,4-dien-1-yl]pentyl]-4-cyanoiminocyclohexa-2,5-dien-1-ylidene]cyanamide
CID 10786020
(4-Cyanoimino-2-dodecyl-5-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 14597093
(4-Cyanoimino-2,3-dipropylcyclohexa-2,5-dien-1-ylidene)cyanamide
CID 15321800
(4-Cyanoimino-5,6,7,8-tetrahydronaphthalen-1-ylidene)cyanamide
CID 15321801

Frequently Asked Questions

What is the IUPAC name of (7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide?
The IUPAC name of (7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide (CID 15321802) is (7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide.
What is the SMILES notation for (7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide?
The canonical SMILES for (7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide is N#C/N=C1\C=C/C(=N\C#N)C2=C1CCC2.
What is the InChIKey of (7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide?
The InChIKey is NALIQRARZBLCJN-WFYKWJGLSA-N. The full InChI is InChI=1S/C11H8N4/c12-6-14-10-4-5-11(15-7-13)9-3-1-2-8(9)10/h4-5H,1-3H2/b14-10+,15-11+.
What are the key properties of (7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide?
(7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide has a molecular weight of 196.21 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-cyanoimino-2,3-dihydro-1H-inden-4-ylidene)cyanamide is sourced from PubChem (CID 15321802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).