5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene

C12H19N3O2 — CID 90326541

IUPAC5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
SMILES[N-]=[N+]=NCCOCCOCC1CC2C=CC1C2
InChIInChI=1S/C12H19N3O2/c13-15-14-3-4-16-5-6-17-9-12-8-10-1-2-11(12)7-10/h1-2,10-12H,3-9H2
InChIKeyHIIALGNTYPFWEV-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.54
Rot. Bonds8

About 5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene

5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 90326541) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
PubChem CID90326541
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
SMILES[N-]=[N+]=NCCOCCOCC1CC2C=CC1C2
InChIInChI=1S/C12H19N3O2/c13-15-14-3-4-16-5-6-17-9-12-8-10-1-2-11(12)7-10/h1-2,10-12H,3-9H2
InChIKeyHIIALGNTYPFWEV-UHFFFAOYSA-N
XLogP2.54
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.54
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene (CID 90326541) is 5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene is [N-]=[N+]=NCCOCCOCC1CC2C=CC1C2.
What is the InChIKey of 5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is HIIALGNTYPFWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-15-14-3-4-16-5-6-17-9-12-8-10-1-2-11(12)7-10/h1-2,10-12H,3-9H2.
What are the key properties of 5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene?
5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 237.30 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 90326541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).