11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one

C16H13NO2 — CID 70384531

IUPAC11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one
SMILESC=CC1(O)c2ccccc2NC(=O)c2ccccc21
InChIInChI=1S/C16H13NO2/c1-2-16(19)12-8-4-3-7-11(12)15(18)17-14-10-6-5-9-13(14)16/h2-10,19H,1H2,(H,17,18)
InChIKeyJMYLGRNVFJCCLF-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.67
Rot. Bonds1

About 11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one

11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one (PubChem CID 70384531) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one
PubChem CID70384531
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one
SMILESC=CC1(O)c2ccccc2NC(=O)c2ccccc21
InChIInChI=1S/C16H13NO2/c1-2-16(19)12-8-4-3-7-11(12)15(18)17-14-10-6-5-9-13(14)16/h2-10,19H,1H2,(H,17,18)
InChIKeyJMYLGRNVFJCCLF-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one?
The IUPAC name of 11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one (CID 70384531) is 11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one.
What is the SMILES notation for 11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one?
The canonical SMILES for 11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one is C=CC1(O)c2ccccc2NC(=O)c2ccccc21.
What is the InChIKey of 11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one?
The InChIKey is JMYLGRNVFJCCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-2-16(19)12-8-4-3-7-11(12)15(18)17-14-10-6-5-9-13(14)16/h2-10,19H,1H2,(H,17,18).
What are the key properties of 11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one?
11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one has a molecular weight of 251.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one is sourced from PubChem (CID 70384531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).