bicyclo[2.2.1]heptane-2,5-dicarbonitrile

C9H10N2 — CID 15745024

IUPACbicyclo[2.2.1]heptane-2,5-dicarbonitrile
SMILESN#CC1CC2CC1CC2C#N
InChIInChI=1S/C9H10N2/c10-4-8-2-6-1-7(8)3-9(6)5-11/h6-9H,1-3H2
InChIKeyBKRNMGBZNLHGEG-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.70
Rot. Bonds

About bicyclo[2.2.1]heptane-2,5-dicarbonitrile

bicyclo[2.2.1]heptane-2,5-dicarbonitrile (PubChem CID 15745024) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2,5-dicarbonitrile.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-2,5-dicarbonitrile
PubChem CID15745024
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Namebicyclo[2.2.1]heptane-2,5-dicarbonitrile
SMILESN#CC1CC2CC1CC2C#N
InChIInChI=1S/C9H10N2/c10-4-8-2-6-1-7(8)3-9(6)5-11/h6-9H,1-3H2
InChIKeyBKRNMGBZNLHGEG-UHFFFAOYSA-N
XLogP1.70
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2,5-dicarbonitrile?
The IUPAC name of bicyclo[2.2.1]heptane-2,5-dicarbonitrile (CID 15745024) is bicyclo[2.2.1]heptane-2,5-dicarbonitrile.
What is the SMILES notation for bicyclo[2.2.1]heptane-2,5-dicarbonitrile?
The canonical SMILES for bicyclo[2.2.1]heptane-2,5-dicarbonitrile is N#CC1CC2CC1CC2C#N.
What is the InChIKey of bicyclo[2.2.1]heptane-2,5-dicarbonitrile?
The InChIKey is BKRNMGBZNLHGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c10-4-8-2-6-1-7(8)3-9(6)5-11/h6-9H,1-3H2.
What are the key properties of bicyclo[2.2.1]heptane-2,5-dicarbonitrile?
bicyclo[2.2.1]heptane-2,5-dicarbonitrile has a molecular weight of 146.19 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-2,5-dicarbonitrile is sourced from PubChem (CID 15745024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).