10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene

C10H7NO2 — CID 69182217

IUPAC10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene
SMILESc1ccc2c3nc(cc2c1)OCO3
InChIInChI=1S/C10H7NO2/c1-2-4-8-7(3-1)5-9-11-10(8)13-6-12-9/h1-5H,6H2
InChIKeyNPZQXJLNCPZSIP-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.96
Rot. Bonds

About 10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene

10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene (PubChem CID 69182217) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene.

Molecular Properties

Compound Name10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene
PubChem CID69182217
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene
SMILESc1ccc2c3nc(cc2c1)OCO3
InChIInChI=1S/C10H7NO2/c1-2-4-8-7(3-1)5-9-11-10(8)13-6-12-9/h1-5H,6H2
InChIKeyNPZQXJLNCPZSIP-UHFFFAOYSA-N
XLogP1.96
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene?
The IUPAC name of 10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene (CID 69182217) is 10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene.
What is the SMILES notation for 10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene?
The canonical SMILES for 10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene is c1ccc2c3nc(cc2c1)OCO3.
What is the InChIKey of 10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene?
The InChIKey is NPZQXJLNCPZSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c1-2-4-8-7(3-1)5-9-11-10(8)13-6-12-9/h1-5H,6H2.
What are the key properties of 10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene?
10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene has a molecular weight of 173.17 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12-dioxa-13-azatricyclo[7.3.1.02,7]trideca-1(13),2,4,6,8-pentaene is sourced from PubChem (CID 69182217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).