tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile

C10H10N2 — CID 820054

IUPACtricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile
SMILESN#CC12CC3CC1(C#N)CC3C2
InChIInChI=1S/C10H10N2/c11-5-9-1-7-2-10(9,6-12)4-8(7)3-9/h7-8H,1-4H2
InChIKeyLYQFBZQPMDFEBR-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.84
Rot. Bonds

About tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile

tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile (PubChem CID 820054) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile.

Molecular Properties

Compound Nametricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile
PubChem CID820054
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Nametricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile
SMILESN#CC12CC3CC1(C#N)CC3C2
InChIInChI=1S/C10H10N2/c11-5-9-1-7-2-10(9,6-12)4-8(7)3-9/h7-8H,1-4H2
InChIKeyLYQFBZQPMDFEBR-UHFFFAOYSA-N
XLogP1.84
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile?
The IUPAC name of tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile (CID 820054) is tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile.
What is the SMILES notation for tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile?
The canonical SMILES for tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile is N#CC12CC3CC1(C#N)CC3C2.
What is the InChIKey of tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile?
The InChIKey is LYQFBZQPMDFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c11-5-9-1-7-2-10(9,6-12)4-8(7)3-9/h7-8H,1-4H2.
What are the key properties of tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile?
tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile has a molecular weight of 158.20 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 tricyclo[3.3.0.03,7]octane-1,5-dicarbonitrile is sourced from PubChem (CID 820054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).