oxadiazole;(2S)-pyrrolidine-2-carbaldehyde

C7H11N3O2 — CID 126698192

IUPACoxadiazole;(2S)-pyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1CCCN1.c1conn1
InChIInChI=1S/C5H9NO.C2H2N2O/c7-4-5-2-1-3-6-5;1-2-5-4-3-1/h4-6H,1-3H2;1-2H/t5-;/m0./s1
InChIKeyXZJZCYWLBOGPEO-JEDNCBNOSA-N
MW169.18 g/mol
LogP0.01
Rot. Bonds1

About oxadiazole;(2S)-pyrrolidine-2-carbaldehyde

oxadiazole;(2S)-pyrrolidine-2-carbaldehyde (PubChem CID 126698192) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is oxadiazole;(2S)-pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Nameoxadiazole;(2S)-pyrrolidine-2-carbaldehyde
PubChem CID126698192
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Nameoxadiazole;(2S)-pyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1CCCN1.c1conn1
InChIInChI=1S/C5H9NO.C2H2N2O/c7-4-5-2-1-3-6-5;1-2-5-4-3-1/h4-6H,1-3H2;1-2H/t5-;/m0./s1
InChIKeyXZJZCYWLBOGPEO-JEDNCBNOSA-N
XLogP0.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxadiazole;(2S)-pyrrolidine-2-carbaldehyde?
The IUPAC name of oxadiazole;(2S)-pyrrolidine-2-carbaldehyde (CID 126698192) is oxadiazole;(2S)-pyrrolidine-2-carbaldehyde.
What is the SMILES notation for oxadiazole;(2S)-pyrrolidine-2-carbaldehyde?
The canonical SMILES for oxadiazole;(2S)-pyrrolidine-2-carbaldehyde is O=C[C@@H]1CCCN1.c1conn1.
What is the InChIKey of oxadiazole;(2S)-pyrrolidine-2-carbaldehyde?
The InChIKey is XZJZCYWLBOGPEO-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H9NO.C2H2N2O/c7-4-5-2-1-3-6-5;1-2-5-4-3-1/h4-6H,1-3H2;1-2H/t5-;/m0./s1.
What are the key properties of oxadiazole;(2S)-pyrrolidine-2-carbaldehyde?
oxadiazole;(2S)-pyrrolidine-2-carbaldehyde has a molecular weight of 169.18 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;(2S)-pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 126698192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).