8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

C9H14N2 — CID 557623

IUPAC8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESCN1C2CCC1CC(C#N)C2
InChIInChI=1S/C9H14N2/c1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-5H2,1H3
InChIKeyDOUCIMIQXTWTDF-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.38
Rot. Bonds

About 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile (PubChem CID 557623) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
PubChem CID557623
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESCN1C2CCC1CC(C#N)C2
InChIInChI=1S/C9H14N2/c1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-5H2,1H3
InChIKeyDOUCIMIQXTWTDF-UHFFFAOYSA-N
XLogP1.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile (CID 557623) is 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is CN1C2CCC1CC(C#N)C2.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The InChIKey is DOUCIMIQXTWTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-5H2,1H3.
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile has a molecular weight of 150.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is sourced from PubChem (CID 557623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).