9H-1,2-benzodiazepine-8-carboxylic acid

C10H8N2O2 — CID 68807290

IUPAC9H-1,2-benzodiazepine-8-carboxylic acid
SMILESO=C(O)C1=CC=C2C=CC=NN=C2C1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-4-3-7-2-1-5-11-12-9(7)6-8/h1-5H,6H2,(H,13,14)
InChIKeyJOZNXHMSEPHUCI-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.32
Rot. Bonds1

About 9H-1,2-benzodiazepine-8-carboxylic acid

9H-1,2-benzodiazepine-8-carboxylic acid (PubChem CID 68807290) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 9H-1,2-benzodiazepine-8-carboxylic acid.

Molecular Properties

Compound Name9H-1,2-benzodiazepine-8-carboxylic acid
PubChem CID68807290
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name9H-1,2-benzodiazepine-8-carboxylic acid
SMILESO=C(O)C1=CC=C2C=CC=NN=C2C1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-4-3-7-2-1-5-11-12-9(7)6-8/h1-5H,6H2,(H,13,14)
InChIKeyJOZNXHMSEPHUCI-UHFFFAOYSA-N
XLogP1.32
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-1,2-benzodiazepine-8-carboxylic acid?
The IUPAC name of 9H-1,2-benzodiazepine-8-carboxylic acid (CID 68807290) is 9H-1,2-benzodiazepine-8-carboxylic acid.
What is the SMILES notation for 9H-1,2-benzodiazepine-8-carboxylic acid?
The canonical SMILES for 9H-1,2-benzodiazepine-8-carboxylic acid is O=C(O)C1=CC=C2C=CC=NN=C2C1.
What is the InChIKey of 9H-1,2-benzodiazepine-8-carboxylic acid?
The InChIKey is JOZNXHMSEPHUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)8-4-3-7-2-1-5-11-12-9(7)6-8/h1-5H,6H2,(H,13,14).
What are the key properties of 9H-1,2-benzodiazepine-8-carboxylic acid?
9H-1,2-benzodiazepine-8-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-1,2-benzodiazepine-8-carboxylic acid is sourced from PubChem (CID 68807290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).