2-ethenylpyrrolo[2,3-d]oxadiazole

C6H5N3O — CID 163092010

IUPAC2-ethenylpyrrolo[2,3-d]oxadiazole
SMILESC=Cn1nc2nccc-2o1
InChIInChI=1S/C6H5N3O/c1-2-9-8-6-5(10-9)3-4-7-6/h2-4H,1H2
InChIKeyCTPFMSUGYHBLAG-UHFFFAOYSA-N
MW135.13 g/mol
LogP1.08
Rot. Bonds1

About 2-ethenylpyrrolo[2,3-d]oxadiazole

2-ethenylpyrrolo[2,3-d]oxadiazole (PubChem CID 163092010) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 2-ethenylpyrrolo[2,3-d]oxadiazole.

Molecular Properties

Compound Name2-ethenylpyrrolo[2,3-d]oxadiazole
PubChem CID163092010
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name2-ethenylpyrrolo[2,3-d]oxadiazole
SMILESC=Cn1nc2nccc-2o1
InChIInChI=1S/C6H5N3O/c1-2-9-8-6-5(10-9)3-4-7-6/h2-4H,1H2
InChIKeyCTPFMSUGYHBLAG-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
N-[2-(1,2,4-triazol-4-yl)ethyl]prop-2-en-1-amine
CID 143046272
3-ethenylpyrrolo[2,3-c][1,2,5]oxadiazole
CID 162788488
N'-(2-methylpyrazol-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 103542644
4-methyl-2-(1-methylpyrazol-3-yl)pyridine
CID 130225331
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427
2-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-4-amine
CID 139785101
N-pyrrolo[2,3-b]pyrazin-1-ylformamide
CID 174673166
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine
CID 117088076
N-ethenyl-3-imidazol-1-ylpropan-1-amine
CID 143541256
2-ethenyl-N-ethynylpyridin-3-amine
CID 123535675

Frequently Asked Questions

What is the IUPAC name of 2-ethenylpyrrolo[2,3-d]oxadiazole?
The IUPAC name of 2-ethenylpyrrolo[2,3-d]oxadiazole (CID 163092010) is 2-ethenylpyrrolo[2,3-d]oxadiazole.
What is the SMILES notation for 2-ethenylpyrrolo[2,3-d]oxadiazole?
The canonical SMILES for 2-ethenylpyrrolo[2,3-d]oxadiazole is C=Cn1nc2nccc-2o1.
What is the InChIKey of 2-ethenylpyrrolo[2,3-d]oxadiazole?
The InChIKey is CTPFMSUGYHBLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-2-9-8-6-5(10-9)3-4-7-6/h2-4H,1H2.
What are the key properties of 2-ethenylpyrrolo[2,3-d]oxadiazole?
2-ethenylpyrrolo[2,3-d]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 2-ethenylpyrrolo[2,3-d]oxadiazole is sourced from PubChem (CID 163092010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).