6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene

C10H7NO — CID 159903610

IUPAC6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene
SMILESC1=Cc2nc3c(cc2=C1)OCC=3
InChIInChI=1S/C10H7NO/c1-2-7-6-10-9(4-5-12-10)11-8(7)3-1/h1-4,6H,5H2
InChIKeyNWGXQVPOPYRQOE-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.06
Rot. Bonds

About 6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene

6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene (PubChem CID 159903610) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is 6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene.

Molecular Properties

Compound Name6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene
PubChem CID159903610
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene
SMILESC1=Cc2nc3c(cc2=C1)OCC=3
InChIInChI=1S/C10H7NO/c1-2-7-6-10-9(4-5-12-10)11-8(7)3-1/h1-4,6H,5H2
InChIKeyNWGXQVPOPYRQOE-UHFFFAOYSA-N
XLogP0.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene?
The IUPAC name of 6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene (CID 159903610) is 6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene.
What is the SMILES notation for 6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene?
The canonical SMILES for 6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene is C1=Cc2nc3c(cc2=C1)OCC=3.
What is the InChIKey of 6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene?
The InChIKey is NWGXQVPOPYRQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c1-2-7-6-10-9(4-5-12-10)11-8(7)3-1/h1-4,6H,5H2.
What are the key properties of 6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene?
6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene has a molecular weight of 157.17 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3,7,9,11-pentaene is sourced from PubChem (CID 159903610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).