3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane

C6H12N2O — CID 130396612

IUPAC3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane
SMILESCC1CNC2OCC2N1
InChIInChI=1S/C6H12N2O/c1-4-2-7-6-5(8-4)3-9-6/h4-8H,2-3H2,1H3
InChIKeyLAMRHFIXNYBRRG-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.71
Rot. Bonds

About 3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane

3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane (PubChem CID 130396612) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane
PubChem CID130396612
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane
SMILESCC1CNC2OCC2N1
InChIInChI=1S/C6H12N2O/c1-4-2-7-6-5(8-4)3-9-6/h4-8H,2-3H2,1H3
InChIKeyLAMRHFIXNYBRRG-UHFFFAOYSA-N
XLogP-0.71
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane?
The IUPAC name of 3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane (CID 130396612) is 3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane.
What is the SMILES notation for 3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane?
The canonical SMILES for 3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane is CC1CNC2OCC2N1.
What is the InChIKey of 3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane?
The InChIKey is LAMRHFIXNYBRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-2-7-6-5(8-4)3-9-6/h4-8H,2-3H2,1H3.
What are the key properties of 3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane?
3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane has a molecular weight of 128.17 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-oxa-2,5-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 130396612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).