8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene

C10H7NO — CID 67856865

IUPAC8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene
SMILESC1=C2CC(=N1)c1ccccc1O2
InChIInChI=1S/C10H7NO/c1-2-4-10-8(3-1)9-5-7(12-10)6-11-9/h1-4,6H,5H2
InChIKeyNJSAUUFEXFPKMJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP2.11
Rot. Bonds

About 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene

8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene (PubChem CID 67856865) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene.

Molecular Properties

Compound Name8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene
PubChem CID67856865
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene
SMILESC1=C2CC(=N1)c1ccccc1O2
InChIInChI=1S/C10H7NO/c1-2-4-10-8(3-1)9-5-7(12-10)6-11-9/h1-4,6H,5H2
InChIKeyNJSAUUFEXFPKMJ-UHFFFAOYSA-N
XLogP2.11
TPSA21.59 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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene?
The IUPAC name of 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene (CID 67856865) is 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene.
What is the SMILES notation for 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene?
The canonical SMILES for 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene is C1=C2CC(=N1)c1ccccc1O2.
What is the InChIKey of 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene?
The InChIKey is NJSAUUFEXFPKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c1-2-4-10-8(3-1)9-5-7(12-10)6-11-9/h1-4,6H,5H2.
What are the key properties of 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene?
8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene has a molecular weight of 157.17 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-11-azatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene is sourced from PubChem (CID 67856865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).