2-methyl-8-azabicyclo[3.2.1]octan-3-one

C8H13NO — CID 88987015

IUPAC2-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC1C(=O)CC2CCC1N2
InChIInChI=1S/C8H13NO/c1-5-7-3-2-6(9-7)4-8(5)10/h5-7,9H,2-4H2,1H3
InChIKeyQGZPOIOGWQCRBQ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.72
Rot. Bonds

About 2-methyl-8-azabicyclo[3.2.1]octan-3-one

2-methyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 88987015) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name2-methyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID88987015
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-methyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC1C(=O)CC2CCC1N2
InChIInChI=1S/C8H13NO/c1-5-7-3-2-6(9-7)4-8(5)10/h5-7,9H,2-4H2,1H3
InChIKeyQGZPOIOGWQCRBQ-UHFFFAOYSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 2-methyl-8-azabicyclo[3.2.1]octan-3-one (CID 88987015) is 2-methyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 2-methyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 2-methyl-8-azabicyclo[3.2.1]octan-3-one is CC1C(=O)CC2CCC1N2.
What is the InChIKey of 2-methyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is QGZPOIOGWQCRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-7-3-2-6(9-7)4-8(5)10/h5-7,9H,2-4H2,1H3.
What are the key properties of 2-methyl-8-azabicyclo[3.2.1]octan-3-one?
2-methyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 139.20 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 88987015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).