2-azidoethylcyclobutane

C6H11N3 — CID 130913828

IUPAC2-azidoethylcyclobutane
SMILES[N-]=[N+]=NCCC1CCC1
InChIInChI=1S/C6H11N3/c7-9-8-5-4-6-2-1-3-6/h6H,1-5H2
InChIKeyAAOALVQZLRYBSB-UHFFFAOYSA-N
MW125.18 g/mol
LogP2.49
Rot. Bonds3

About 2-azidoethylcyclobutane

2-azidoethylcyclobutane (PubChem CID 130913828) has the molecular formula C6H11N3 and a molecular weight of 125.18 g/mol. Its IUPAC name is 2-azidoethylcyclobutane.

Molecular Properties

Compound Name2-azidoethylcyclobutane
PubChem CID130913828
Molecular FormulaC6H11N3
Molecular Weight125.18 g/mol
Exact Mass125.10
IUPAC Name2-azidoethylcyclobutane
SMILES[N-]=[N+]=NCCC1CCC1
InChIInChI=1S/C6H11N3/c7-9-8-5-4-6-2-1-3-6/h6H,1-5H2
InChIKeyAAOALVQZLRYBSB-UHFFFAOYSA-N
XLogP2.49
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.18
LogP ≤ 52.49
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-azidoethylcyclobutane?
The IUPAC name of 2-azidoethylcyclobutane (CID 130913828) is 2-azidoethylcyclobutane.
What is the SMILES notation for 2-azidoethylcyclobutane?
The canonical SMILES for 2-azidoethylcyclobutane is [N-]=[N+]=NCCC1CCC1.
What is the InChIKey of 2-azidoethylcyclobutane?
The InChIKey is AAOALVQZLRYBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-9-8-5-4-6-2-1-3-6/h6H,1-5H2.
What are the key properties of 2-azidoethylcyclobutane?
2-azidoethylcyclobutane has a molecular weight of 125.18 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidoethylcyclobutane is sourced from PubChem (CID 130913828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).