(11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one

C14H11NO2 — CID 92852371

IUPAC(11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one
SMILESO=C1Nc2ccccc2[C@H](O)c2ccccc21
InChIInChI=1S/C14H11NO2/c16-13-9-5-1-2-6-10(9)14(17)15-12-8-4-3-7-11(12)13/h1-8,13,16H,(H,15,17)/t13-/m1/s1
InChIKeyMVDLFUHQOPGQGH-CYBMUJFWSA-N
MW225.25 g/mol
LogP2.33
Rot. Bonds

About (11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one

(11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one (PubChem CID 92852371) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name(11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one
PubChem CID92852371
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name(11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one
SMILESO=C1Nc2ccccc2[C@H](O)c2ccccc21
InChIInChI=1S/C14H11NO2/c16-13-9-5-1-2-6-10(9)14(17)15-12-8-4-3-7-11(12)13/h1-8,13,16H,(H,15,17)/t13-/m1/s1
InChIKeyMVDLFUHQOPGQGH-CYBMUJFWSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70626411
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(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
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CID 158403573

Frequently Asked Questions

What is the IUPAC name of (11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one?
The IUPAC name of (11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one (CID 92852371) is (11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one.
What is the SMILES notation for (11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one?
The canonical SMILES for (11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one is O=C1Nc2ccccc2[C@H](O)c2ccccc21.
What is the InChIKey of (11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one?
The InChIKey is MVDLFUHQOPGQGH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H11NO2/c16-13-9-5-1-2-6-10(9)14(17)15-12-8-4-3-7-11(12)13/h1-8,13,16H,(H,15,17)/t13-/m1/s1.
What are the key properties of (11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one?
(11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one has a molecular weight of 225.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-hydroxy-5,11-dihydrobenzo[c][1]benzazepin-6-one is sourced from PubChem (CID 92852371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).