3-methyl-1-azabicyclo[3.2.1]octan-6-one

C8H13NO — CID 130028074

IUPAC3-methyl-1-azabicyclo[3.2.1]octan-6-one
SMILESCC1CC2CN(CC2=O)C1
InChIInChI=1S/C8H13NO/c1-6-2-7-4-9(3-6)5-8(7)10/h6-7H,2-5H2,1H3
InChIKeyGNLYYTZWRYFNAZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.53
Rot. Bonds

About 3-methyl-1-azabicyclo[3.2.1]octan-6-one

3-methyl-1-azabicyclo[3.2.1]octan-6-one (PubChem CID 130028074) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methyl-1-azabicyclo[3.2.1]octan-6-one.

Molecular Properties

Compound Name3-methyl-1-azabicyclo[3.2.1]octan-6-one
PubChem CID130028074
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methyl-1-azabicyclo[3.2.1]octan-6-one
SMILESCC1CC2CN(CC2=O)C1
InChIInChI=1S/C8H13NO/c1-6-2-7-4-9(3-6)5-8(7)10/h6-7H,2-5H2,1H3
InChIKeyGNLYYTZWRYFNAZ-UHFFFAOYSA-N
XLogP0.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-azabicyclo[3.2.1]octan-6-one?
The IUPAC name of 3-methyl-1-azabicyclo[3.2.1]octan-6-one (CID 130028074) is 3-methyl-1-azabicyclo[3.2.1]octan-6-one.
What is the SMILES notation for 3-methyl-1-azabicyclo[3.2.1]octan-6-one?
The canonical SMILES for 3-methyl-1-azabicyclo[3.2.1]octan-6-one is CC1CC2CN(CC2=O)C1.
What is the InChIKey of 3-methyl-1-azabicyclo[3.2.1]octan-6-one?
The InChIKey is GNLYYTZWRYFNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-2-7-4-9(3-6)5-8(7)10/h6-7H,2-5H2,1H3.
What are the key properties of 3-methyl-1-azabicyclo[3.2.1]octan-6-one?
3-methyl-1-azabicyclo[3.2.1]octan-6-one has a molecular weight of 139.20 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-azabicyclo[3.2.1]octan-6-one is sourced from PubChem (CID 130028074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).