bicyclo[2.2.1]heptane-1-carbonitrile

C8H11N — CID 517818

IUPACbicyclo[2.2.1]heptane-1-carbonitrile
SMILESN#CC12CCC(CC1)C2
InChIInChI=1S/C8H11N/c9-6-8-3-1-7(5-8)2-4-8/h7H,1-5H2
InChIKeyOJDABTNGJHBQFD-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.09
Rot. Bonds

About bicyclo[2.2.1]heptane-1-carbonitrile

bicyclo[2.2.1]heptane-1-carbonitrile (PubChem CID 517818) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-1-carbonitrile.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-1-carbonitrile
PubChem CID517818
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Namebicyclo[2.2.1]heptane-1-carbonitrile
SMILESN#CC12CCC(CC1)C2
InChIInChI=1S/C8H11N/c9-6-8-3-1-7(5-8)2-4-8/h7H,1-5H2
InChIKeyOJDABTNGJHBQFD-UHFFFAOYSA-N
XLogP2.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-1-carbonitrile?
The IUPAC name of bicyclo[2.2.1]heptane-1-carbonitrile (CID 517818) is bicyclo[2.2.1]heptane-1-carbonitrile.
What is the SMILES notation for bicyclo[2.2.1]heptane-1-carbonitrile?
The canonical SMILES for bicyclo[2.2.1]heptane-1-carbonitrile is N#CC12CCC(CC1)C2.
What is the InChIKey of bicyclo[2.2.1]heptane-1-carbonitrile?
The InChIKey is OJDABTNGJHBQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c9-6-8-3-1-7(5-8)2-4-8/h7H,1-5H2.
What are the key properties of bicyclo[2.2.1]heptane-1-carbonitrile?
bicyclo[2.2.1]heptane-1-carbonitrile has a molecular weight of 121.18 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-1-carbonitrile is sourced from PubChem (CID 517818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).