3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole

C9H11N3O — CID 141175199

IUPAC3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole
SMILESC[C@@H]1C=C(/C=C/c2ncon2)CN1
InChIInChI=1S/C9H11N3O/c1-7-4-8(5-10-7)2-3-9-11-6-13-12-9/h2-4,6-7,10H,5H2,1H3/b3-2+/t7-/m1/s1
InChIKeyGZIWWZUKPDCPTE-TYWZFMJISA-N
MW177.21 g/mol
LogP1.00
Rot. Bonds2

About 3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole

3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole (PubChem CID 141175199) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole
PubChem CID141175199
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole
SMILESC[C@@H]1C=C(/C=C/c2ncon2)CN1
InChIInChI=1S/C9H11N3O/c1-7-4-8(5-10-7)2-3-9-11-6-13-12-9/h2-4,6-7,10H,5H2,1H3/b3-2+/t7-/m1/s1
InChIKeyGZIWWZUKPDCPTE-TYWZFMJISA-N
XLogP1.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole (CID 141175199) is 3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole is C[C@@H]1C=C(/C=C/c2ncon2)CN1.
What is the InChIKey of 3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole?
The InChIKey is GZIWWZUKPDCPTE-TYWZFMJISA-N. The full InChI is InChI=1S/C9H11N3O/c1-7-4-8(5-10-7)2-3-9-11-6-13-12-9/h2-4,6-7,10H,5H2,1H3/b3-2+/t7-/m1/s1.
What are the key properties of 3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole?
3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole has a molecular weight of 177.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[(5R)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 141175199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).