About 1-(2-azidoethyl)pyrrolidine
1-(2-azidoethyl)pyrrolidine (PubChem CID 12681399) has the molecular formula C6H12N4
and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(2-azidoethyl)pyrrolidine.
Molecular Properties
| Compound Name | 1-(2-azidoethyl)pyrrolidine |
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| PubChem CID | 12681399 |
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| Molecular Formula | C6H12N4 |
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| Molecular Weight | 140.19 g/mol |
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| Exact Mass | 140.11 |
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| IUPAC Name | 1-(2-azidoethyl)pyrrolidine |
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| SMILES | [N-]=[N+]=NCCN1CCCC1 |
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| InChI | InChI=1S/C6H12N4/c7-9-8-3-6-10-4-1-2-5-10/h1-6H2 |
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| InChIKey | XDEOCNXROZOGPZ-UHFFFAOYSA-N |
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| XLogP | 1.39 |
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| TPSA | 52.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 140.19 |
| LogP ≤ 5 | 1.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-azidoethyl)pyrrolidine?
The IUPAC name of 1-(2-azidoethyl)pyrrolidine (CID 12681399) is 1-(2-azidoethyl)pyrrolidine.
What is the SMILES notation for 1-(2-azidoethyl)pyrrolidine?
The canonical SMILES for 1-(2-azidoethyl)pyrrolidine is [N-]=[N+]=NCCN1CCCC1.
What is the InChIKey of 1-(2-azidoethyl)pyrrolidine?
The InChIKey is XDEOCNXROZOGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c7-9-8-3-6-10-4-1-2-5-10/h1-6H2.
What are the key properties of 1-(2-azidoethyl)pyrrolidine?
1-(2-azidoethyl)pyrrolidine has a molecular weight of 140.19 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)pyrrolidine is sourced from PubChem (CID 12681399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).