5-methyl-6-azabicyclo[3.2.1]octan-7-one

C8H13NO — CID 119053641

IUPAC5-methyl-6-azabicyclo[3.2.1]octan-7-one
SMILESCC12CCCC(C1)C(=O)N2
InChIInChI=1S/C8H13NO/c1-8-4-2-3-6(5-8)7(10)9-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeySQWBHNVPQKUOFM-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.07
Rot. Bonds

About 5-methyl-6-azabicyclo[3.2.1]octan-7-one

5-methyl-6-azabicyclo[3.2.1]octan-7-one (PubChem CID 119053641) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-methyl-6-azabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name5-methyl-6-azabicyclo[3.2.1]octan-7-one
PubChem CID119053641
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-methyl-6-azabicyclo[3.2.1]octan-7-one
SMILESCC12CCCC(C1)C(=O)N2
InChIInChI=1S/C8H13NO/c1-8-4-2-3-6(5-8)7(10)9-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeySQWBHNVPQKUOFM-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 129413421
(1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione
CID 129413450
(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 129413407
(1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 124676728
1-methyl-6-azabicyclo[3.1.1]heptane
CID 144585149
2-chloro-N-[(7-oxo-6-azabicyclo[3.2.1]octan-5-yl)methyl]acetamide
CID 146105401
(1S,5S,7S)-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione
CID 130840841
(3S)-7,7-dimethyl-3-(methylideneamino)azepan-2-one
CID 59118695
6,6-dimethyl-3-propan-2-ylpiperidin-2-one
CID 157148346
(1R,4R,8R,9S)-9-methyl-3-azatricyclo[6.2.2.04,9]dodecan-2-one
CID 20786849
1-propylperoxy-2-azabicyclo[2.2.1]heptan-3-one
CID 141121434
6,6-dimethyl-3-(methylamino)azepan-2-one
CID 22985182

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-azabicyclo[3.2.1]octan-7-one?
The IUPAC name of 5-methyl-6-azabicyclo[3.2.1]octan-7-one (CID 119053641) is 5-methyl-6-azabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for 5-methyl-6-azabicyclo[3.2.1]octan-7-one?
The canonical SMILES for 5-methyl-6-azabicyclo[3.2.1]octan-7-one is CC12CCCC(C1)C(=O)N2.
What is the InChIKey of 5-methyl-6-azabicyclo[3.2.1]octan-7-one?
The InChIKey is SQWBHNVPQKUOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8-4-2-3-6(5-8)7(10)9-8/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 5-methyl-6-azabicyclo[3.2.1]octan-7-one?
5-methyl-6-azabicyclo[3.2.1]octan-7-one has a molecular weight of 139.20 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-azabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 119053641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).