11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid

C12H9NO3 — CID 2761135

IUPAC11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid
SMILESO=C(O)c1cc2cccc3c2n(c1=O)CC3
InChIInChI=1S/C12H9NO3/c14-11-9(12(15)16)6-8-3-1-2-7-4-5-13(11)10(7)8/h1-3,6H,4-5H2,(H,15,16)
InChIKeyNEJGAPBPTIGUNY-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.26
Rot. Bonds1

About 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid

11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid (PubChem CID 2761135) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid.

Molecular Properties

Compound Name11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid
PubChem CID2761135
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid
SMILESO=C(O)c1cc2cccc3c2n(c1=O)CC3
InChIInChI=1S/C12H9NO3/c14-11-9(12(15)16)6-8-3-1-2-7-4-5-13(11)10(7)8/h1-3,6H,4-5H2,(H,15,16)
InChIKeyNEJGAPBPTIGUNY-UHFFFAOYSA-N
XLogP1.26
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid 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-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid?
The IUPAC name of 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid (CID 2761135) is 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid.
What is the SMILES notation for 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid?
The canonical SMILES for 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid is O=C(O)c1cc2cccc3c2n(c1=O)CC3.
What is the InChIKey of 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid?
The InChIKey is NEJGAPBPTIGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-11-9(12(15)16)6-8-3-1-2-7-4-5-13(11)10(7)8/h1-3,6H,4-5H2,(H,15,16).
What are the key properties of 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid?
11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-10-carboxylic acid is sourced from PubChem (CID 2761135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).