trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile

C8H10N2 — CID 12656927

IUPACtrans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
SMILESN#C[C@@H]1CCCC[C@H]1C#N
InChIInChI=1S/C8H10N2/c9-5-7-3-1-2-4-8(7)6-10/h7-8H,1-4H2/t7-,8-/m0/s1
InChIKeyHJUWHGADIVLYKV-YUMQZZPRSA-N
MW134.18 g/mol
LogP1.84
Rot. Bonds

About trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile

trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile (PubChem CID 12656927) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile.

Molecular Properties

Compound Nametrans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
PubChem CID12656927
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Nametrans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
SMILESN#C[C@@H]1CCCC[C@H]1C#N
InChIInChI=1S/C8H10N2/c9-5-7-3-1-2-4-8(7)6-10/h7-8H,1-4H2/t7-,8-/m0/s1
InChIKeyHJUWHGADIVLYKV-YUMQZZPRSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile?
The IUPAC name of trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile (CID 12656927) is trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile.
What is the SMILES notation for trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile?
The canonical SMILES for trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile is N#C[C@@H]1CCCC[C@H]1C#N.
What is the InChIKey of trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile?
The InChIKey is HJUWHGADIVLYKV-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H10N2/c9-5-7-3-1-2-4-8(7)6-10/h7-8H,1-4H2/t7-,8-/m0/s1.
What are the key properties of trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile?
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile is sourced from PubChem (CID 12656927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).