6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one

C7H12N2O — CID 156836548

IUPAC6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCN1C(=O)N2CCCC1C2
InChIInChI=1S/C7H12N2O/c1-8-6-3-2-4-9(5-6)7(8)10/h6H,2-5H2,1H3
InChIKeyCPSPKHXYPHNJLZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.52
Rot. Bonds

About 6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one

6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 156836548) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID156836548
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCN1C(=O)N2CCCC1C2
InChIInChI=1S/C7H12N2O/c1-8-6-3-2-4-9(5-6)7(8)10/h6H,2-5H2,1H3
InChIKeyCPSPKHXYPHNJLZ-UHFFFAOYSA-N
XLogP0.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of 6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one (CID 156836548) is 6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for 6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for 6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one is CN1C(=O)N2CCCC1C2.
What is the InChIKey of 6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is CPSPKHXYPHNJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-8-6-3-2-4-9(5-6)7(8)10/h6H,2-5H2,1H3.
What are the key properties of 6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one?
6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 140.19 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 156836548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).