5-methoxy-8-phenyl-1H-azocin-2-one

C14H13NO2 — CID 71340182

IUPAC5-methoxy-8-phenyl-1H-azocin-2-one
SMILESCOC1=CC=C(c2ccccc2)NC(=O)C=C1
InChIInChI=1S/C14H13NO2/c1-17-12-7-9-13(15-14(16)10-8-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,15,16)
InChIKeyAKWRGCAYTXFUAQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.24
Rot. Bonds2

About 5-methoxy-8-phenyl-1H-azocin-2-one

5-methoxy-8-phenyl-1H-azocin-2-one (PubChem CID 71340182) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-methoxy-8-phenyl-1H-azocin-2-one.

Molecular Properties

Compound Name5-methoxy-8-phenyl-1H-azocin-2-one
PubChem CID71340182
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name5-methoxy-8-phenyl-1H-azocin-2-one
SMILESCOC1=CC=C(c2ccccc2)NC(=O)C=C1
InChIInChI=1S/C14H13NO2/c1-17-12-7-9-13(15-14(16)10-8-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,15,16)
InChIKeyAKWRGCAYTXFUAQ-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8-phenyl-1H-azocin-2-one?
The IUPAC name of 5-methoxy-8-phenyl-1H-azocin-2-one (CID 71340182) is 5-methoxy-8-phenyl-1H-azocin-2-one.
What is the SMILES notation for 5-methoxy-8-phenyl-1H-azocin-2-one?
The canonical SMILES for 5-methoxy-8-phenyl-1H-azocin-2-one is COC1=CC=C(c2ccccc2)NC(=O)C=C1.
What is the InChIKey of 5-methoxy-8-phenyl-1H-azocin-2-one?
The InChIKey is AKWRGCAYTXFUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-17-12-7-9-13(15-14(16)10-8-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,15,16).
What are the key properties of 5-methoxy-8-phenyl-1H-azocin-2-one?
5-methoxy-8-phenyl-1H-azocin-2-one has a molecular weight of 227.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8-phenyl-1H-azocin-2-one is sourced from PubChem (CID 71340182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).