3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole

C6H5N3O — CID 162788488

IUPAC3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole
SMILESC=Cn1onc2ccnc1-2
InChIInChI=1S/C6H5N3O/c1-2-9-6-5(8-10-9)3-4-7-6/h2-4H,1H2
InChIKeyGBYHVQNADMQVEO-UHFFFAOYSA-N
MW135.13 g/mol
LogP1.08
Rot. Bonds1

About 3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole

3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole (PubChem CID 162788488) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole.

Molecular Properties

Compound Name3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole
PubChem CID162788488
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole
SMILESC=Cn1onc2ccnc1-2
InChIInChI=1S/C6H5N3O/c1-2-9-6-5(8-10-9)3-4-7-6/h2-4H,1H2
InChIKeyGBYHVQNADMQVEO-UHFFFAOYSA-N
XLogP1.08
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethenylpyrrolo[2,3-b]pyrazine
CID 175776939
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
2-(3-ethenyl-2-methyl-1-benzofuran-7-yl)-4-methylpyridine
CID 153283609
2-ethenylpyrrolo[2,3-d]oxadiazole
CID 163092010
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;oxovanadium
CID 139924983
ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 168929695
dichlororuthenium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 11261228
2-(5-ethenyl-2-methoxyphenyl)-4-methylpyridine
CID 166638993
4-methyl-2-(5-methylfuran-3-yl)pyridine
CID 59448045
ethane;2-ethenyl-1,3-thiazole;3-propan-2-yl-1,2-oxazole
CID 177006502
4-(4-methyl-2-pyridinyl)oxadiazole
CID 139385935

Frequently Asked Questions

What is the IUPAC name of 3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole?
The IUPAC name of 3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole (CID 162788488) is 3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole.
What is the SMILES notation for 3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole?
The canonical SMILES for 3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole is C=Cn1onc2ccnc1-2.
What is the InChIKey of 3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole?
The InChIKey is GBYHVQNADMQVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-2-9-6-5(8-10-9)3-4-7-6/h2-4H,1H2.
What are the key properties of 3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole?
3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole has a molecular weight of 135.13 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole is sourced from PubChem (CID 162788488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).