5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene

C9H13NO — CID 59379131

IUPAC5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene
SMILESCC1=C2OCCN(C)C2=C1C
InChIInChI=1S/C9H13NO/c1-6-7(2)9-8(6)10(3)4-5-11-9/h4-5H2,1-3H3
InChIKeyGIZASULKLGESQY-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.51
Rot. Bonds

About 5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene

5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene (PubChem CID 59379131) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene.

Molecular Properties

Compound Name5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene
PubChem CID59379131
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene
SMILESCC1=C2OCCN(C)C2=C1C
InChIInChI=1S/C9H13NO/c1-6-7(2)9-8(6)10(3)4-5-11-9/h4-5H2,1-3H3
InChIKeyGIZASULKLGESQY-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene?
The IUPAC name of 5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene (CID 59379131) is 5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene.
What is the SMILES notation for 5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene?
The canonical SMILES for 5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene is CC1=C2OCCN(C)C2=C1C.
What is the InChIKey of 5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene?
The InChIKey is GIZASULKLGESQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-7(2)9-8(6)10(3)4-5-11-9/h4-5H2,1-3H3.
What are the key properties of 5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene?
5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene has a molecular weight of 151.21 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene is sourced from PubChem (CID 59379131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).