2H-1,2-benzoxazocine-7-carboxylic acid

C11H9NO3 — CID 141000159

IUPAC2H-1,2-benzoxazocine-7-carboxylic acid
SMILESO=C(O)c1cccc2o[nH]ccccc12
InChIInChI=1S/C11H9NO3/c13-11(14)9-5-3-6-10-8(9)4-1-2-7-12-15-10/h1-7,12H,(H,13,14)/b4-1-,7-2-
InChIKeyDFOQOVPQGQGOSY-KBAHTBMXSA-N
MW203.20 g/mol
LogP2.58
Rot. Bonds1

About 2H-1,2-benzoxazocine-7-carboxylic acid

2H-1,2-benzoxazocine-7-carboxylic acid (PubChem CID 141000159) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2H-1,2-benzoxazocine-7-carboxylic acid.

Molecular Properties

Compound Name2H-1,2-benzoxazocine-7-carboxylic acid
PubChem CID141000159
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2H-1,2-benzoxazocine-7-carboxylic acid
SMILESO=C(O)c1cccc2o[nH]ccccc12
InChIInChI=1S/C11H9NO3/c13-11(14)9-5-3-6-10-8(9)4-1-2-7-12-15-10/h1-7,12H,(H,13,14)/b4-1-,7-2-
InChIKeyDFOQOVPQGQGOSY-KBAHTBMXSA-N
XLogP2.58
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2H-1,2-benzoxazocine-7-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 2H-1,2-benzoxazocine-7-carboxylic acid?
The IUPAC name of 2H-1,2-benzoxazocine-7-carboxylic acid (CID 141000159) is 2H-1,2-benzoxazocine-7-carboxylic acid.
What is the SMILES notation for 2H-1,2-benzoxazocine-7-carboxylic acid?
The canonical SMILES for 2H-1,2-benzoxazocine-7-carboxylic acid is O=C(O)c1cccc2o[nH]ccccc12.
What is the InChIKey of 2H-1,2-benzoxazocine-7-carboxylic acid?
The InChIKey is DFOQOVPQGQGOSY-KBAHTBMXSA-N. The full InChI is InChI=1S/C11H9NO3/c13-11(14)9-5-3-6-10-8(9)4-1-2-7-12-15-10/h1-7,12H,(H,13,14)/b4-1-,7-2-.
What are the key properties of 2H-1,2-benzoxazocine-7-carboxylic acid?
2H-1,2-benzoxazocine-7-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazocine-7-carboxylic acid is sourced from PubChem (CID 141000159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).