8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile

C9H12N2O — CID 142643354

IUPAC8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESCN1C2CC(=O)C1CC(C#N)C2
InChIInChI=1S/C9H12N2O/c1-11-7-2-6(5-10)3-8(11)9(12)4-7/h6-8H,2-4H2,1H3
InChIKeyBKGPTYSCLUYKHT-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.56
Rot. Bonds

About 8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile

8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile (PubChem CID 142643354) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile.

Molecular Properties

Compound Name8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile
PubChem CID142643354
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESCN1C2CC(=O)C1CC(C#N)C2
InChIInChI=1S/C9H12N2O/c1-11-7-2-6(5-10)3-8(11)9(12)4-7/h6-8H,2-4H2,1H3
InChIKeyBKGPTYSCLUYKHT-UHFFFAOYSA-N
XLogP0.56
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 54521676
(1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 102234240
(1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one
CID 102234242
(1S,5R)-8-methyl-2-pentyl-8-azabicyclo[3.2.1]octan-3-one
CID 102234244
(1S,5R)-2-heptyl-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 102234246
1,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 130027707
2-[2-(2-Methylpropyl)-5-oxopiperidin-1-yl]butanenitrile
CID 68840806
2-Ethyl-4,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 117758980
2,4-Diethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 117783350
(5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 122486225
8-(2-Cyanoethyl)-2-oxo-8-azabicyclo[3.2.1]octane-6-carbonitrile
CID 3825120
8-Methyl-2-oxo-8-azabicyclo[3.2.1]octane-6-carbonitrile
CID 5154167

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The IUPAC name of 8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile (CID 142643354) is 8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile.
What is the SMILES notation for 8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The canonical SMILES for 8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile is CN1C2CC(=O)C1CC(C#N)C2.
What is the InChIKey of 8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The InChIKey is BKGPTYSCLUYKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-7-2-6(5-10)3-8(11)9(12)4-7/h6-8H,2-4H2,1H3.
What are the key properties of 8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile?
8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile has a molecular weight of 164.21 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-oxo-8-azabicyclo[3.2.1]octane-3-carbonitrile is sourced from PubChem (CID 142643354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).