6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid

C15H11NO3 — CID 70384843

IUPAC6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid
SMILESO=C(O)C1=C2CC=CC=C2NC(=O)c2ccccc21
InChIInChI=1S/C15H11NO3/c17-14-10-6-2-1-5-9(10)13(15(18)19)11-7-3-4-8-12(11)16-14/h1-6,8H,7H2,(H,16,17)(H,18,19)
InChIKeyFHRTURYWOOBRAT-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.11
Rot. Bonds1

About 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid

6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid (PubChem CID 70384843) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid
PubChem CID70384843
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid
SMILESO=C(O)C1=C2CC=CC=C2NC(=O)c2ccccc21
InChIInChI=1S/C15H11NO3/c17-14-10-6-2-1-5-9(10)13(15(18)19)11-7-3-4-8-12(11)16-14/h1-6,8H,7H2,(H,16,17)(H,18,19)
InChIKeyFHRTURYWOOBRAT-UHFFFAOYSA-N
XLogP2.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid?
The IUPAC name of 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid (CID 70384843) is 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid.
What is the SMILES notation for 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid?
The canonical SMILES for 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid is O=C(O)C1=C2CC=CC=C2NC(=O)c2ccccc21.
What is the InChIKey of 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid?
The InChIKey is FHRTURYWOOBRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-14-10-6-2-1-5-9(10)13(15(18)19)11-7-3-4-8-12(11)16-14/h1-6,8H,7H2,(H,16,17)(H,18,19).
What are the key properties of 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid?
6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1,5-dihydrobenzo[c][1]benzazepine-11-carboxylic acid is sourced from PubChem (CID 70384843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).