chromen-4-one;oxadiazole

C11H8N2O3 — CID 175168262

IUPACchromen-4-one;oxadiazole
SMILESO=c1ccoc2ccccc12.c1conn1
InChIInChI=1S/C9H6O2.C2H2N2O/c10-8-5-6-11-9-4-2-1-3-7(8)9;1-2-5-4-3-1/h1-6H;1-2H
InChIKeyGLSUZTUHOUHFGF-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.86
Rot. Bonds

About chromen-4-one;oxadiazole

chromen-4-one;oxadiazole (PubChem CID 175168262) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is chromen-4-one;oxadiazole.

Molecular Properties

Compound Namechromen-4-one;oxadiazole
PubChem CID175168262
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Namechromen-4-one;oxadiazole
SMILESO=c1ccoc2ccccc12.c1conn1
InChIInChI=1S/C9H6O2.C2H2N2O/c10-8-5-6-11-9-4-2-1-3-7(8)9;1-2-5-4-3-1/h1-6H;1-2H
InChIKeyGLSUZTUHOUHFGF-UHFFFAOYSA-N
XLogP1.86
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of chromen-4-one;oxadiazole?
The IUPAC name of chromen-4-one;oxadiazole (CID 175168262) is chromen-4-one;oxadiazole.
What is the SMILES notation for chromen-4-one;oxadiazole?
The canonical SMILES for chromen-4-one;oxadiazole is O=c1ccoc2ccccc12.c1conn1.
What is the InChIKey of chromen-4-one;oxadiazole?
The InChIKey is GLSUZTUHOUHFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.C2H2N2O/c10-8-5-6-11-9-4-2-1-3-7(8)9;1-2-5-4-3-1/h1-6H;1-2H.
What are the key properties of chromen-4-one;oxadiazole?
chromen-4-one;oxadiazole has a molecular weight of 216.20 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chromen-4-one;oxadiazole is sourced from PubChem (CID 175168262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).