1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid

C7H5NO2 — CID 55303286

IUPAC1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid
SMILESO=C(O)C1=CC=C=NC=C1
InChIInChI=1S/C7H5NO2/c9-7(10)6-2-1-4-8-5-3-6/h1-3,5H,(H,9,10)
InChIKeyIOZIUHLRGYCAKM-UHFFFAOYSA-N
MW135.12 g/mol
LogP0.75
Rot. Bonds1

About 1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid

1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid (PubChem CID 55303286) has the molecular formula C7H5NO2 and a molecular weight of 135.12 g/mol. Its IUPAC name is 1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid.

Molecular Properties

Compound Name1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid
PubChem CID55303286
Molecular FormulaC7H5NO2
Molecular Weight135.12 g/mol
Exact Mass135.03
IUPAC Name1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid
SMILESO=C(O)C1=CC=C=NC=C1
InChIInChI=1S/C7H5NO2/c9-7(10)6-2-1-4-8-5-3-6/h1-3,5H,(H,9,10)
InChIKeyIOZIUHLRGYCAKM-UHFFFAOYSA-N
XLogP0.75
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid?
The IUPAC name of 1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid (CID 55303286) is 1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid.
What is the SMILES notation for 1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid?
The canonical SMILES for 1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid is O=C(O)C1=CC=C=NC=C1.
What is the InChIKey of 1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid?
The InChIKey is IOZIUHLRGYCAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2/c9-7(10)6-2-1-4-8-5-3-6/h1-3,5H,(H,9,10).
What are the key properties of 1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid?
1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid has a molecular weight of 135.12 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacyclohepta-2,4,6,7-tetraene-4-carboxylic acid is sourced from PubChem (CID 55303286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).