3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane

C7H14N2O — CID 135274848

IUPAC3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane
SMILESCC1CCNC2OCC2N1
InChIInChI=1S/C7H14N2O/c1-5-2-3-8-7-6(9-5)4-10-7/h5-9H,2-4H2,1H3
InChIKeySRHWQGPWQSBXDZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.32
Rot. Bonds

About 3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane

3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane (PubChem CID 135274848) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane.

Molecular Properties

Compound Name3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane
PubChem CID135274848
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane
SMILESCC1CCNC2OCC2N1
InChIInChI=1S/C7H14N2O/c1-5-2-3-8-7-6(9-5)4-10-7/h5-9H,2-4H2,1H3
InChIKeySRHWQGPWQSBXDZ-UHFFFAOYSA-N
XLogP-0.32
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane?
The IUPAC name of 3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane (CID 135274848) is 3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane.
What is the SMILES notation for 3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane?
The canonical SMILES for 3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane is CC1CCNC2OCC2N1.
What is the InChIKey of 3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane?
The InChIKey is SRHWQGPWQSBXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-2-3-8-7-6(9-5)4-10-7/h5-9H,2-4H2,1H3.
What are the key properties of 3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane?
3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane has a molecular weight of 142.20 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-oxa-2,6-diazabicyclo[5.2.0]nonane is sourced from PubChem (CID 135274848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).