8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene

C11H12N2O — CID 163631971

IUPAC8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene
SMILESCC1=NNC2CC(O2)c2ccccc21
InChIInChI=1S/C11H12N2O/c1-7-8-4-2-3-5-9(8)10-6-11(14-10)13-12-7/h2-5,10-11,13H,6H2,1H3
InChIKeyHWWZKSSZUYOPDG-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.80
Rot. Bonds

About 8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene

8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene (PubChem CID 163631971) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene.

Molecular Properties

Compound Name8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene
PubChem CID163631971
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene
SMILESCC1=NNC2CC(O2)c2ccccc21
InChIInChI=1S/C11H12N2O/c1-7-8-4-2-3-5-9(8)10-6-11(14-10)13-12-7/h2-5,10-11,13H,6H2,1H3
InChIKeyHWWZKSSZUYOPDG-UHFFFAOYSA-N
XLogP1.80
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene?
The IUPAC name of 8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene (CID 163631971) is 8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene.
What is the SMILES notation for 8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene?
The canonical SMILES for 8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene is CC1=NNC2CC(O2)c2ccccc21.
What is the InChIKey of 8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene?
The InChIKey is HWWZKSSZUYOPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-8-4-2-3-5-9(8)10-6-11(14-10)13-12-7/h2-5,10-11,13H,6H2,1H3.
What are the key properties of 8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene?
8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene has a molecular weight of 188.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene is sourced from PubChem (CID 163631971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).