11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one

C11H13NO2 — CID 105444954

IUPAC11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one
SMILESO=c1[nH]c2c(c3c1COCC3)CCC2
InChIInChI=1S/C11H13NO2/c13-11-9-6-14-5-4-7(9)8-2-1-3-10(8)12-11/h1-6H2,(H,12,13)
InChIKeySXVHGMNRMMOFSU-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.94
Rot. Bonds

About 11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one

11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one (PubChem CID 105444954) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one.

Molecular Properties

Compound Name11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one
PubChem CID105444954
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one
SMILESO=c1[nH]c2c(c3c1COCC3)CCC2
InChIInChI=1S/C11H13NO2/c13-11-9-6-14-5-4-7(9)8-2-1-3-10(8)12-11/h1-6H2,(H,12,13)
InChIKeySXVHGMNRMMOFSU-UHFFFAOYSA-N
XLogP0.94
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one 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 11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one?
The IUPAC name of 11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one (CID 105444954) is 11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one.
What is the SMILES notation for 11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one?
The canonical SMILES for 11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one is O=c1[nH]c2c(c3c1COCC3)CCC2.
What is the InChIKey of 11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one?
The InChIKey is SXVHGMNRMMOFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11-9-6-14-5-4-7(9)8-2-1-3-10(8)12-11/h1-6H2,(H,12,13).
What are the key properties of 11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one?
11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one has a molecular weight of 191.23 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6)-dien-8-one is sourced from PubChem (CID 105444954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).