N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide

C16H12N2O3 — CID 72560727

IUPACN-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide
SMILESO=C(C=C1c2ccccc2NC(=O)c2ccccc21)NO
InChIInChI=1S/C16H12N2O3/c19-15(18-21)9-13-10-5-1-2-7-12(10)16(20)17-14-8-4-3-6-11(13)14/h1-9,21H,(H,17,20)(H,18,19)
InChIKeyPXLUYOMNHFWVIS-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.19
Rot. Bonds1

About N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide

N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide (PubChem CID 72560727) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide.

Molecular Properties

Compound NameN-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide
PubChem CID72560727
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide
SMILESO=C(C=C1c2ccccc2NC(=O)c2ccccc21)NO
InChIInChI=1S/C16H12N2O3/c19-15(18-21)9-13-10-5-1-2-7-12(10)16(20)17-14-8-4-3-6-11(13)14/h1-9,21H,(H,17,20)(H,18,19)
InChIKeyPXLUYOMNHFWVIS-UHFFFAOYSA-N
XLogP2.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide?
The IUPAC name of N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide (CID 72560727) is N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide.
What is the SMILES notation for N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide?
The canonical SMILES for N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide is O=C(C=C1c2ccccc2NC(=O)c2ccccc21)NO.
What is the InChIKey of N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide?
The InChIKey is PXLUYOMNHFWVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15(18-21)9-13-10-5-1-2-7-12(10)16(20)17-14-8-4-3-6-11(13)14/h1-9,21H,(H,17,20)(H,18,19).
What are the key properties of N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide?
N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide has a molecular weight of 280.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(6-oxo-5H-benzo[c][1]benzazepin-11-ylidene)acetamide is sourced from PubChem (CID 72560727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).