2-(2-azidoethoxy)ethoxycyclopentane

C9H17N3O2 — CID 150486555

IUPAC2-(2-azidoethoxy)ethoxycyclopentane
SMILES[N-]=[N+]=NCCOCCOC1CCCC1
InChIInChI=1S/C9H17N3O2/c10-12-11-5-6-13-7-8-14-9-3-1-2-4-9/h9H,1-8H2
InChIKeyHUXKHPOWNNFRFZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.27
Rot. Bonds7

About 2-(2-azidoethoxy)ethoxycyclopentane

2-(2-azidoethoxy)ethoxycyclopentane (PubChem CID 150486555) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(2-azidoethoxy)ethoxycyclopentane.

Molecular Properties

Compound Name2-(2-azidoethoxy)ethoxycyclopentane
PubChem CID150486555
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-(2-azidoethoxy)ethoxycyclopentane
SMILES[N-]=[N+]=NCCOCCOC1CCCC1
InChIInChI=1S/C9H17N3O2/c10-12-11-5-6-13-7-8-14-9-3-1-2-4-9/h9H,1-8H2
InChIKeyHUXKHPOWNNFRFZ-UHFFFAOYSA-N
XLogP2.27
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(2-azidoethoxy)ethoxycyclopentane?
The IUPAC name of 2-(2-azidoethoxy)ethoxycyclopentane (CID 150486555) is 2-(2-azidoethoxy)ethoxycyclopentane.
What is the SMILES notation for 2-(2-azidoethoxy)ethoxycyclopentane?
The canonical SMILES for 2-(2-azidoethoxy)ethoxycyclopentane is [N-]=[N+]=NCCOCCOC1CCCC1.
What is the InChIKey of 2-(2-azidoethoxy)ethoxycyclopentane?
The InChIKey is HUXKHPOWNNFRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-12-11-5-6-13-7-8-14-9-3-1-2-4-9/h9H,1-8H2.
What are the key properties of 2-(2-azidoethoxy)ethoxycyclopentane?
2-(2-azidoethoxy)ethoxycyclopentane has a molecular weight of 199.25 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethoxy)ethoxycyclopentane is sourced from PubChem (CID 150486555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).