3-azido-1-cyclooctylazetidine

C11H20N4 — CID 121200393

IUPAC3-azido-1-cyclooctylazetidine
SMILES[N-]=[N+]=NC1CN(C2CCCCCCC2)C1
InChIInChI=1S/C11H20N4/c12-14-13-10-8-15(9-10)11-6-4-2-1-3-5-7-11/h10-11H,1-9H2
InChIKeyRFKOIRPMPSHQKE-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.09
Rot. Bonds2

About 3-azido-1-cyclooctylazetidine

3-azido-1-cyclooctylazetidine (PubChem CID 121200393) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-azido-1-cyclooctylazetidine.

Molecular Properties

Compound Name3-azido-1-cyclooctylazetidine
PubChem CID121200393
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-azido-1-cyclooctylazetidine
SMILES[N-]=[N+]=NC1CN(C2CCCCCCC2)C1
InChIInChI=1S/C11H20N4/c12-14-13-10-8-15(9-10)11-6-4-2-1-3-5-7-11/h10-11H,1-9H2
InChIKeyRFKOIRPMPSHQKE-UHFFFAOYSA-N
XLogP3.09
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-1-cyclooctylazetidine?
The IUPAC name of 3-azido-1-cyclooctylazetidine (CID 121200393) is 3-azido-1-cyclooctylazetidine.
What is the SMILES notation for 3-azido-1-cyclooctylazetidine?
The canonical SMILES for 3-azido-1-cyclooctylazetidine is [N-]=[N+]=NC1CN(C2CCCCCCC2)C1.
What is the InChIKey of 3-azido-1-cyclooctylazetidine?
The InChIKey is RFKOIRPMPSHQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-14-13-10-8-15(9-10)11-6-4-2-1-3-5-7-11/h10-11H,1-9H2.
What are the key properties of 3-azido-1-cyclooctylazetidine?
3-azido-1-cyclooctylazetidine has a molecular weight of 208.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-cyclooctylazetidine is sourced from PubChem (CID 121200393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).