7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene

C8H5NO — CID 143049777

IUPAC7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene
SMILESC1=C2C=CC=CC=1ON=C2
InChIInChI=1S/C8H5NO/c1-2-4-8-5-7(3-1)6-9-10-8/h1-4,6H
InChIKeyRYGWXHWQTOEGJO-UHFFFAOYSA-N
MW131.13 g/mol
LogP1.54
Rot. Bonds

About 7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene

7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene (PubChem CID 143049777) has the molecular formula C8H5NO and a molecular weight of 131.13 g/mol. Its IUPAC name is 7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene.

Molecular Properties

Compound Name7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene
PubChem CID143049777
Molecular FormulaC8H5NO
Molecular Weight131.13 g/mol
Exact Mass131.04
IUPAC Name7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene
SMILESC1=C2C=CC=CC=1ON=C2
InChIInChI=1S/C8H5NO/c1-2-4-8-5-7(3-1)6-9-10-8/h1-4,6H
InChIKeyRYGWXHWQTOEGJO-UHFFFAOYSA-N
XLogP1.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene?
The IUPAC name of 7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene (CID 143049777) is 7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene.
What is the SMILES notation for 7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene?
The canonical SMILES for 7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene is C1=C2C=CC=CC=1ON=C2.
What is the InChIKey of 7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene?
The InChIKey is RYGWXHWQTOEGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO/c1-2-4-8-5-7(3-1)6-9-10-8/h1-4,6H.
What are the key properties of 7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene?
7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene has a molecular weight of 131.13 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-8-azabicyclo[4.3.1]deca-1(10),2,4,6(10),8-pentaene is sourced from PubChem (CID 143049777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).