1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole

C11H14N4O — CID 121202419

IUPAC1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole
SMILESCOc1cccc2c1CCN2CCN=[N+]=[N-]
InChIInChI=1S/C11H14N4O/c1-16-11-4-2-3-10-9(11)5-7-15(10)8-6-13-14-12/h2-4H,5-8H2,1H3
InChIKeyQJCPDBMENRJWIE-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.37
Rot. Bonds4

About 1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole

1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole (PubChem CID 121202419) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole
PubChem CID121202419
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole
SMILESCOc1cccc2c1CCN2CCN=[N+]=[N-]
InChIInChI=1S/C11H14N4O/c1-16-11-4-2-3-10-9(11)5-7-15(10)8-6-13-14-12/h2-4H,5-8H2,1H3
InChIKeyQJCPDBMENRJWIE-UHFFFAOYSA-N
XLogP2.37
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole?
The IUPAC name of 1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole (CID 121202419) is 1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole.
What is the SMILES notation for 1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole?
The canonical SMILES for 1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole is COc1cccc2c1CCN2CCN=[N+]=[N-].
What is the InChIKey of 1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole?
The InChIKey is QJCPDBMENRJWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-11-4-2-3-10-9(11)5-7-15(10)8-6-13-14-12/h2-4H,5-8H2,1H3.
What are the key properties of 1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole?
1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole has a molecular weight of 218.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-4-methoxy-2,3-dihydroindole is sourced from PubChem (CID 121202419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).