2-(azidomethyl)-2,5-dihydro-1H-pyrrole

C5H8N4 — CID 126491555

IUPAC2-(azidomethyl)-2,5-dihydro-1H-pyrrole
SMILES[N-]=[N+]=NCC1C=CCN1
InChIInChI=1S/C5H8N4/c6-9-8-4-5-2-1-3-7-5/h1-2,5,7H,3-4H2
InChIKeyFWGYZRZSVGCULV-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.82
Rot. Bonds2

About 2-(azidomethyl)-2,5-dihydro-1H-pyrrole

2-(azidomethyl)-2,5-dihydro-1H-pyrrole (PubChem CID 126491555) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 2-(azidomethyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-(azidomethyl)-2,5-dihydro-1H-pyrrole
PubChem CID126491555
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name2-(azidomethyl)-2,5-dihydro-1H-pyrrole
SMILES[N-]=[N+]=NCC1C=CCN1
InChIInChI=1S/C5H8N4/c6-9-8-4-5-2-1-3-7-5/h1-2,5,7H,3-4H2
InChIKeyFWGYZRZSVGCULV-UHFFFAOYSA-N
XLogP0.82
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-(azidomethyl)-2,5-dihydro-1H-pyrrole (CID 126491555) is 2-(azidomethyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-(azidomethyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-(azidomethyl)-2,5-dihydro-1H-pyrrole is [N-]=[N+]=NCC1C=CCN1.
What is the InChIKey of 2-(azidomethyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is FWGYZRZSVGCULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c6-9-8-4-5-2-1-3-7-5/h1-2,5,7H,3-4H2.
What are the key properties of 2-(azidomethyl)-2,5-dihydro-1H-pyrrole?
2-(azidomethyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 124.15 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 126491555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).