7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile

C8H12N2 — CID 21188393

IUPAC7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile
SMILESCN1C2CCC1C(C#N)C2
InChIInChI=1S/C8H12N2/c1-10-7-2-3-8(10)6(4-7)5-9/h6-8H,2-4H2,1H3
InChIKeyCJXGCUSUPNYBMT-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.99
Rot. Bonds

About 7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile

7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 21188393) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID21188393
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile
SMILESCN1C2CCC1C(C#N)C2
InChIInChI=1S/C8H12N2/c1-10-7-2-3-8(10)6(4-7)5-9/h6-8H,2-4H2,1H3
InChIKeyCJXGCUSUPNYBMT-UHFFFAOYSA-N
XLogP0.99
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile (CID 21188393) is 7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile is CN1C2CCC1C(C#N)C2.
What is the InChIKey of 7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is CJXGCUSUPNYBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-7-2-3-8(10)6(4-7)5-9/h6-8H,2-4H2,1H3.
What are the key properties of 7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile?
7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 136.20 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-azabicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 21188393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).