6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one

C7H12N2O — CID 72990723

IUPAC6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one
SMILESCN1CC2CC1CNC2=O
InChIInChI=1S/C7H12N2O/c1-9-4-5-2-6(9)3-8-7(5)10/h5-6H,2-4H2,1H3,(H,8,10)
InChIKeyHNCNSLYVWZPMMZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.56
Rot. Bonds

About 6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one

6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one (PubChem CID 72990723) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one
PubChem CID72990723
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one
SMILESCN1CC2CC1CNC2=O
InChIInChI=1S/C7H12N2O/c1-9-4-5-2-6(9)3-8-7(5)10/h5-6H,2-4H2,1H3,(H,8,10)
InChIKeyHNCNSLYVWZPMMZ-UHFFFAOYSA-N
XLogP-0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one?
The IUPAC name of 6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one (CID 72990723) is 6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one is CN1CC2CC1CNC2=O.
What is the InChIKey of 6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one?
The InChIKey is HNCNSLYVWZPMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-4-5-2-6(9)3-8-7(5)10/h5-6H,2-4H2,1H3,(H,8,10).
What are the key properties of 6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one?
6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one has a molecular weight of 140.19 g/mol, XLogP of -0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,6-diazabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 72990723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).