1-azidopyrrolidine

C4H8N4 — CID 18960506

IUPAC1-azidopyrrolidine
SMILES[N-]=[N+]=NN1CCCC1
InChIInChI=1S/C4H8N4/c5-6-7-8-3-1-2-4-8/h1-4H2
InChIKeyRLLWVYYBXSBQJP-UHFFFAOYSA-N
MW112.14 g/mol
LogP1.31
Rot. Bonds1

About 1-azidopyrrolidine

1-azidopyrrolidine (PubChem CID 18960506) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 1-azidopyrrolidine.

Molecular Properties

Compound Name1-azidopyrrolidine
PubChem CID18960506
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name1-azidopyrrolidine
SMILES[N-]=[N+]=NN1CCCC1
InChIInChI=1S/C4H8N4/c5-6-7-8-3-1-2-4-8/h1-4H2
InChIKeyRLLWVYYBXSBQJP-UHFFFAOYSA-N
XLogP1.31
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze 1-azidopyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-azidopyrrolidine?
The IUPAC name of 1-azidopyrrolidine (CID 18960506) is 1-azidopyrrolidine.
What is the SMILES notation for 1-azidopyrrolidine?
The canonical SMILES for 1-azidopyrrolidine is [N-]=[N+]=NN1CCCC1.
What is the InChIKey of 1-azidopyrrolidine?
The InChIKey is RLLWVYYBXSBQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c5-6-7-8-3-1-2-4-8/h1-4H2.
What are the key properties of 1-azidopyrrolidine?
1-azidopyrrolidine has a molecular weight of 112.14 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidopyrrolidine is sourced from PubChem (CID 18960506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).