cyclohexane-1,1-dicarbonitrile

C8H10N2 — CID 544561

IUPACcyclohexane-1,1-dicarbonitrile
SMILESN#CC1(C#N)CCCCC1
InChIInChI=1S/C8H10N2/c9-6-8(7-10)4-2-1-3-5-8/h1-5H2
InChIKeyWMEXDXWNPYTTQQ-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.98
Rot. Bonds

About cyclohexane-1,1-dicarbonitrile

cyclohexane-1,1-dicarbonitrile (PubChem CID 544561) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is cyclohexane-1,1-dicarbonitrile.

Molecular Properties

Compound Namecyclohexane-1,1-dicarbonitrile
PubChem CID544561
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Namecyclohexane-1,1-dicarbonitrile
SMILESN#CC1(C#N)CCCCC1
InChIInChI=1S/C8H10N2/c9-6-8(7-10)4-2-1-3-5-8/h1-5H2
InChIKeyWMEXDXWNPYTTQQ-UHFFFAOYSA-N
XLogP1.98
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3,5-Pentanetetracarbonitrile
CID 283406
(1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetricarbonitrile
CID 11423741
4,4-Dimethylheptanedinitrile
CID 264224
1-Methylcyclohexane-1-carbonitrile
CID 12859572
Spiro(2.5)octane-1,1,2,2-tetracarbonitrile
CID 256903
1-Ethylcyclohexane-1-carbonitrile
CID 20575451
3,3-Dimethylcyclohexane-1-carbonitrile
CID 22992894
1,4,4-Trimethylcyclohexane-1-carbonitrile
CID 65391365
Spiro[2.5]octane-1,1-dicarbonitrile
CID 533434
1,1'-Bi(cyclohexyl)-1,1'-dicarbonitrile
CID 259841
1-Cyanocyclohexaneacetonitrile
CID 10920666
Heptane-2,2-dicarbonitrile
CID 17821838

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,1-dicarbonitrile?
The IUPAC name of cyclohexane-1,1-dicarbonitrile (CID 544561) is cyclohexane-1,1-dicarbonitrile.
What is the SMILES notation for cyclohexane-1,1-dicarbonitrile?
The canonical SMILES for cyclohexane-1,1-dicarbonitrile is N#CC1(C#N)CCCCC1.
What is the InChIKey of cyclohexane-1,1-dicarbonitrile?
The InChIKey is WMEXDXWNPYTTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c9-6-8(7-10)4-2-1-3-5-8/h1-5H2.
What are the key properties of cyclohexane-1,1-dicarbonitrile?
cyclohexane-1,1-dicarbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,1-dicarbonitrile is sourced from PubChem (CID 544561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).