3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C12H10N2O2 — CID 10680122

IUPAC3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCCOc1nccc2oc3ncccc3c12
InChIInChI=1S/C12H10N2O2/c1-2-15-12-10-8-4-3-6-13-11(8)16-9(10)5-7-14-12/h3-7H,2H2,1H3
InChIKeyNQRZVGHFASOKFB-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.77
Rot. Bonds2

About 3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 10680122) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID10680122
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCCOc1nccc2oc3ncccc3c12
InChIInChI=1S/C12H10N2O2/c1-2-15-12-10-8-4-3-6-13-11(8)16-9(10)5-7-14-12/h3-7H,2H2,1H3
InChIKeyNQRZVGHFASOKFB-UHFFFAOYSA-N
XLogP2.77
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 10680122) is 3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CCOc1nccc2oc3ncccc3c12.
What is the InChIKey of 3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is NQRZVGHFASOKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-2-15-12-10-8-4-3-6-13-11(8)16-9(10)5-7-14-12/h3-7H,2H2,1H3.
What are the key properties of 3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 214.22 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 10680122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).