5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde

C16H13NO2 — CID 71440334

IUPAC5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde
SMILESCN1Cc2ccccc2C(=O)c2cc(C=O)ccc21
InChIInChI=1S/C16H13NO2/c1-17-9-12-4-2-3-5-13(12)16(19)14-8-11(10-18)6-7-15(14)17/h2-8,10H,9H2,1H3
InChIKeyXMSYLAXDOKUQIW-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.68
Rot. Bonds1

About 5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde

5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde (PubChem CID 71440334) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde
PubChem CID71440334
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde
SMILESCN1Cc2ccccc2C(=O)c2cc(C=O)ccc21
InChIInChI=1S/C16H13NO2/c1-17-9-12-4-2-3-5-13(12)16(19)14-8-11(10-18)6-7-15(14)17/h2-8,10H,9H2,1H3
InChIKeyXMSYLAXDOKUQIW-UHFFFAOYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde?
The IUPAC name of 5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde (CID 71440334) is 5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde.
What is the SMILES notation for 5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde?
The canonical SMILES for 5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde is CN1Cc2ccccc2C(=O)c2cc(C=O)ccc21.
What is the InChIKey of 5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde?
The InChIKey is XMSYLAXDOKUQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-17-9-12-4-2-3-5-13(12)16(19)14-8-11(10-18)6-7-15(14)17/h2-8,10H,9H2,1H3.
What are the key properties of 5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde?
5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde has a molecular weight of 251.29 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11-oxo-6H-benzo[c][1]benzazepine-2-carbaldehyde is sourced from PubChem (CID 71440334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).