1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one

C7H12N2O — CID 146172099

IUPAC1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one
SMILESCC12CCC(CNC1=O)N2
InChIInChI=1S/C7H12N2O/c1-7-3-2-5(9-7)4-8-6(7)10/h5,9H,2-4H2,1H3,(H,8,10)
InChIKeyIVOSZAZSVQKBOJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.37
Rot. Bonds

About 1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one

1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one (PubChem CID 146172099) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one
PubChem CID146172099
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one
SMILESCC12CCC(CNC1=O)N2
InChIInChI=1S/C7H12N2O/c1-7-3-2-5(9-7)4-8-6(7)10/h5,9H,2-4H2,1H3,(H,8,10)
InChIKeyIVOSZAZSVQKBOJ-UHFFFAOYSA-N
XLogP-0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one?
The IUPAC name of 1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one (CID 146172099) is 1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one is CC12CCC(CNC1=O)N2.
What is the InChIKey of 1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one?
The InChIKey is IVOSZAZSVQKBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7-3-2-5(9-7)4-8-6(7)10/h5,9H,2-4H2,1H3,(H,8,10).
What are the key properties of 1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one?
1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one has a molecular weight of 140.19 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,8-diazabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 146172099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).