3-(2-azidoethyl)-6,7-dimethoxy-1H-indole

C12H14N4O2 — CID 10562361

IUPAC3-(2-azidoethyl)-6,7-dimethoxy-1H-indole
SMILESCOc1ccc2c(CCN=[N+]=[N-])c[nH]c2c1OC
InChIInChI=1S/C12H14N4O2/c1-17-10-4-3-9-8(5-6-15-16-13)7-14-11(9)12(10)18-2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyBNZZEHPKTRRHSW-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.04
Rot. Bonds5

About 3-(2-azidoethyl)-6,7-dimethoxy-1H-indole

3-(2-azidoethyl)-6,7-dimethoxy-1H-indole (PubChem CID 10562361) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(2-azidoethyl)-6,7-dimethoxy-1H-indole.

Molecular Properties

Compound Name3-(2-azidoethyl)-6,7-dimethoxy-1H-indole
PubChem CID10562361
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-(2-azidoethyl)-6,7-dimethoxy-1H-indole
SMILESCOc1ccc2c(CCN=[N+]=[N-])c[nH]c2c1OC
InChIInChI=1S/C12H14N4O2/c1-17-10-4-3-9-8(5-6-15-16-13)7-14-11(9)12(10)18-2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyBNZZEHPKTRRHSW-UHFFFAOYSA-N
XLogP3.04
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
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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Related Compounds

1-(2-azidoethyl)-2,3-dimethoxybenzene
CID 150478771
2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 102299709
3-ethyl-7-fluoro-6-methoxy-1H-indole
CID 130049741
7-bromo-3-(chloromethyl)-6-methoxy-1H-indole
CID 130049757
1-(2-azidoethyl)-4-methoxy-2-methylbenzene
CID 151451429
2-(2-azidoethyl)-1-bromo-3-methoxybenzene
CID 151383343
1-(2-azidoethyl)-2-ethoxybenzene
CID 150018068
ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 86732817
3-(2-azidoethyl)-5-nitro-1H-indole
CID 123550245
16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol
CID 11429148
5-(7-methoxy-1H-indol-3-yl)pentan-1-amine
CID 96598611
1-(azidomethyl)-2-methoxybenzene
CID 11263685

Frequently Asked Questions

What is the IUPAC name of 3-(2-azidoethyl)-6,7-dimethoxy-1H-indole?
The IUPAC name of 3-(2-azidoethyl)-6,7-dimethoxy-1H-indole (CID 10562361) is 3-(2-azidoethyl)-6,7-dimethoxy-1H-indole.
What is the SMILES notation for 3-(2-azidoethyl)-6,7-dimethoxy-1H-indole?
The canonical SMILES for 3-(2-azidoethyl)-6,7-dimethoxy-1H-indole is COc1ccc2c(CCN=[N+]=[N-])c[nH]c2c1OC.
What is the InChIKey of 3-(2-azidoethyl)-6,7-dimethoxy-1H-indole?
The InChIKey is BNZZEHPKTRRHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-17-10-4-3-9-8(5-6-15-16-13)7-14-11(9)12(10)18-2/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 3-(2-azidoethyl)-6,7-dimethoxy-1H-indole?
3-(2-azidoethyl)-6,7-dimethoxy-1H-indole has a molecular weight of 246.27 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidoethyl)-6,7-dimethoxy-1H-indole is sourced from PubChem (CID 10562361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).