6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C11H8N2O — CID 90090613

IUPAC6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCc1ccnc2c1oc1cccnc12
InChIInChI=1S/C11H8N2O/c1-7-4-6-13-10-9-8(14-11(7)10)3-2-5-12-9/h2-6H,1H3
InChIKeyYMTJOOBSIVGWJT-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.68
Rot. Bonds

About 6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 90090613) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID90090613
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCc1ccnc2c1oc1cccnc12
InChIInChI=1S/C11H8N2O/c1-7-4-6-13-10-9-8(14-11(7)10)3-2-5-12-9/h2-6H,1H3
InChIKeyYMTJOOBSIVGWJT-UHFFFAOYSA-N
XLogP2.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 90090613) is 6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is Cc1ccnc2c1oc1cccnc12.
What is the InChIKey of 6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is YMTJOOBSIVGWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-7-4-6-13-10-9-8(14-11(7)10)3-2-5-12-9/h2-6H,1H3.
What are the key properties of 6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 184.20 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 90090613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).