7-methyl-7-azabicyclo[4.2.0]octan-8-one

C8H13NO — CID 118943942

IUPAC7-methyl-7-azabicyclo[4.2.0]octan-8-one
SMILESCN1C(=O)C2CCCCC21
InChIInChI=1S/C8H13NO/c1-9-7-5-3-2-4-6(7)8(9)10/h6-7H,2-5H2,1H3
InChIKeyMWYRXJHCKKTIJE-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.02
Rot. Bonds

About 7-methyl-7-azabicyclo[4.2.0]octan-8-one

7-methyl-7-azabicyclo[4.2.0]octan-8-one (PubChem CID 118943942) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 7-methyl-7-azabicyclo[4.2.0]octan-8-one.

Molecular Properties

Compound Name7-methyl-7-azabicyclo[4.2.0]octan-8-one
PubChem CID118943942
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name7-methyl-7-azabicyclo[4.2.0]octan-8-one
SMILESCN1C(=O)C2CCCCC21
InChIInChI=1S/C8H13NO/c1-9-7-5-3-2-4-6(7)8(9)10/h6-7H,2-5H2,1H3
InChIKeyMWYRXJHCKKTIJE-UHFFFAOYSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-azabicyclo[4.2.0]octan-8-one?
The IUPAC name of 7-methyl-7-azabicyclo[4.2.0]octan-8-one (CID 118943942) is 7-methyl-7-azabicyclo[4.2.0]octan-8-one.
What is the SMILES notation for 7-methyl-7-azabicyclo[4.2.0]octan-8-one?
The canonical SMILES for 7-methyl-7-azabicyclo[4.2.0]octan-8-one is CN1C(=O)C2CCCCC21.
What is the InChIKey of 7-methyl-7-azabicyclo[4.2.0]octan-8-one?
The InChIKey is MWYRXJHCKKTIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-7-5-3-2-4-6(7)8(9)10/h6-7H,2-5H2,1H3.
What are the key properties of 7-methyl-7-azabicyclo[4.2.0]octan-8-one?
7-methyl-7-azabicyclo[4.2.0]octan-8-one has a molecular weight of 139.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-azabicyclo[4.2.0]octan-8-one is sourced from PubChem (CID 118943942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).