9H-2-benzazepine-8-carboxylic acid

C11H9NO2 — CID 151078131

IUPAC9H-2-benzazepine-8-carboxylic acid
SMILESO=C(O)C1=CC=C2C=CC=NC=C2C1
InChIInChI=1S/C11H9NO2/c13-11(14)9-4-3-8-2-1-5-12-7-10(8)6-9/h1-5,7H,6H2,(H,13,14)
InChIKeyMJNXHAKKOXHEIK-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.85
Rot. Bonds1

About 9H-2-benzazepine-8-carboxylic acid

9H-2-benzazepine-8-carboxylic acid (PubChem CID 151078131) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 9H-2-benzazepine-8-carboxylic acid.

Molecular Properties

Compound Name9H-2-benzazepine-8-carboxylic acid
PubChem CID151078131
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name9H-2-benzazepine-8-carboxylic acid
SMILESO=C(O)C1=CC=C2C=CC=NC=C2C1
InChIInChI=1S/C11H9NO2/c13-11(14)9-4-3-8-2-1-5-12-7-10(8)6-9/h1-5,7H,6H2,(H,13,14)
InChIKeyMJNXHAKKOXHEIK-UHFFFAOYSA-N
XLogP1.85
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-2-benzazepine-8-carboxylic acid?
The IUPAC name of 9H-2-benzazepine-8-carboxylic acid (CID 151078131) is 9H-2-benzazepine-8-carboxylic acid.
What is the SMILES notation for 9H-2-benzazepine-8-carboxylic acid?
The canonical SMILES for 9H-2-benzazepine-8-carboxylic acid is O=C(O)C1=CC=C2C=CC=NC=C2C1.
What is the InChIKey of 9H-2-benzazepine-8-carboxylic acid?
The InChIKey is MJNXHAKKOXHEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11(14)9-4-3-8-2-1-5-12-7-10(8)6-9/h1-5,7H,6H2,(H,13,14).
What are the key properties of 9H-2-benzazepine-8-carboxylic acid?
9H-2-benzazepine-8-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-2-benzazepine-8-carboxylic acid is sourced from PubChem (CID 151078131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).