5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene

C12H6N2O2 — CID 58262188

IUPAC5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene
SMILESc1ccc2c(c1)c1ncoc1c1ocnc21
InChIInChI=1S/C12H6N2O2/c1-2-4-8-7(3-1)9-11(15-5-13-9)12-10(8)14-6-16-12/h1-6H
InChIKeyGHIFFABDZGRUMN-UHFFFAOYSA-N
MW210.19 g/mol
LogP3.12
Rot. Bonds

About 5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene

5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene (PubChem CID 58262188) has the molecular formula C12H6N2O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene.

Molecular Properties

Compound Name5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene
PubChem CID58262188
Molecular FormulaC12H6N2O2
Molecular Weight210.19 g/mol
Exact Mass210.04
IUPAC Name5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene
SMILESc1ccc2c(c1)c1ncoc1c1ocnc21
InChIInChI=1S/C12H6N2O2/c1-2-4-8-7(3-1)9-11(15-5-13-9)12-10(8)14-6-16-12/h1-6H
InChIKeyGHIFFABDZGRUMN-UHFFFAOYSA-N
XLogP3.12
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene?
The IUPAC name of 5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene (CID 58262188) is 5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene.
What is the SMILES notation for 5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene?
The canonical SMILES for 5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene is c1ccc2c(c1)c1ncoc1c1ocnc21.
What is the InChIKey of 5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene?
The InChIKey is GHIFFABDZGRUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O2/c1-2-4-8-7(3-1)9-11(15-5-13-9)12-10(8)14-6-16-12/h1-6H.
What are the key properties of 5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene?
5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene has a molecular weight of 210.19 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dioxa-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),3,7(11),9,12,14-heptaene is sourced from PubChem (CID 58262188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).