11H-benzo[c][1]benzazepine-10-carboxylic acid

C15H11NO2 — CID 42635159

IUPAC11H-benzo[c][1]benzazepine-10-carboxylic acid
SMILESO=C(O)c1cccc2c1Cc1ccccc1N=C2
InChIInChI=1S/C15H11NO2/c17-15(18)12-6-3-5-11-9-16-14-7-2-1-4-10(14)8-13(11)12/h1-7,9H,8H2,(H,17,18)
InChIKeyCSJDNRAXVMHIOO-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.04
Rot. Bonds1

About 11H-benzo[c][1]benzazepine-10-carboxylic acid

11H-benzo[c][1]benzazepine-10-carboxylic acid (PubChem CID 42635159) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 11H-benzo[c][1]benzazepine-10-carboxylic acid.

Molecular Properties

Compound Name11H-benzo[c][1]benzazepine-10-carboxylic acid
PubChem CID42635159
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name11H-benzo[c][1]benzazepine-10-carboxylic acid
SMILESO=C(O)c1cccc2c1Cc1ccccc1N=C2
InChIInChI=1S/C15H11NO2/c17-15(18)12-6-3-5-11-9-16-14-7-2-1-4-10(14)8-13(11)12/h1-7,9H,8H2,(H,17,18)
InChIKeyCSJDNRAXVMHIOO-UHFFFAOYSA-N
XLogP3.04
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11H-benzo[c][1]benzazepine-10-carboxylic acid?
The IUPAC name of 11H-benzo[c][1]benzazepine-10-carboxylic acid (CID 42635159) is 11H-benzo[c][1]benzazepine-10-carboxylic acid.
What is the SMILES notation for 11H-benzo[c][1]benzazepine-10-carboxylic acid?
The canonical SMILES for 11H-benzo[c][1]benzazepine-10-carboxylic acid is O=C(O)c1cccc2c1Cc1ccccc1N=C2.
What is the InChIKey of 11H-benzo[c][1]benzazepine-10-carboxylic acid?
The InChIKey is CSJDNRAXVMHIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-15(18)12-6-3-5-11-9-16-14-7-2-1-4-10(14)8-13(11)12/h1-7,9H,8H2,(H,17,18).
What are the key properties of 11H-benzo[c][1]benzazepine-10-carboxylic acid?
11H-benzo[c][1]benzazepine-10-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[c][1]benzazepine-10-carboxylic acid is sourced from PubChem (CID 42635159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).