10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid

C13H9NO2 — CID 22491702

IUPAC10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)=C1C=CN=C(C=2)C1
InChIInChI=1S/C13H9NO2/c15-13(16)10-2-1-8-5-11-6-9(3-4-14-11)12(8)7-10/h1-5,7H,6H2,(H,15,16)
InChIKeyVGKJQWWPZBRRRV-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.69
Rot. Bonds1

About 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid

10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid (PubChem CID 22491702) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid.

Molecular Properties

Compound Name10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid
PubChem CID22491702
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)=C1C=CN=C(C=2)C1
InChIInChI=1S/C13H9NO2/c15-13(16)10-2-1-8-5-11-6-9(3-4-14-11)12(8)7-10/h1-5,7H,6H2,(H,15,16)
InChIKeyVGKJQWWPZBRRRV-UHFFFAOYSA-N
XLogP0.69
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid?
The IUPAC name of 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid (CID 22491702) is 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid.
What is the SMILES notation for 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid?
The canonical SMILES for 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid is O=C(O)c1ccc2c(c1)=C1C=CN=C(C=2)C1.
What is the InChIKey of 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid?
The InChIKey is VGKJQWWPZBRRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-13(16)10-2-1-8-5-11-6-9(3-4-14-11)12(8)7-10/h1-5,7H,6H2,(H,15,16).
What are the key properties of 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid?
10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene-4-carboxylic acid is sourced from PubChem (CID 22491702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).