6-ethenoxy-1-ethylindole

C12H13NO — CID 141210535

IUPAC6-ethenoxy-1-ethylindole
SMILESC=COc1ccc2ccn(CC)c2c1
InChIInChI=1S/C12H13NO/c1-3-13-8-7-10-5-6-11(14-4-2)9-12(10)13/h4-9H,2-3H2,1H3
InChIKeyCNNJNFQBTSVBKP-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.18
Rot. Bonds3

About 6-ethenoxy-1-ethylindole

6-ethenoxy-1-ethylindole (PubChem CID 141210535) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 6-ethenoxy-1-ethylindole.

Molecular Properties

Compound Name6-ethenoxy-1-ethylindole
PubChem CID141210535
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name6-ethenoxy-1-ethylindole
SMILESC=COc1ccc2ccn(CC)c2c1
InChIInChI=1S/C12H13NO/c1-3-13-8-7-10-5-6-11(14-4-2)9-12(10)13/h4-9H,2-3H2,1H3
InChIKeyCNNJNFQBTSVBKP-UHFFFAOYSA-N
XLogP3.18
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(1-ethylindol-5-yl) hypoiodite
CID 23151406
5-ethenyl-1-ethyl-6-fluoroindole
CID 123821106
methyl 1-ethylindole-6-carboxylate
CID 22467242
CID 69068244
CID 69068244
5-cyclopentyloxy-1-ethylindole
CID 57315298
1-ethylindole;propane
CID 91144409
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620
(1-benzylindol-6-yl) prop-2-enoate
CID 67761564
(1-ethylindol-5-yl) acetate
CID 57170525
6-(4-methoxyphenyl)-1-propylindole
CID 91452134
acetonitrile;1-ethylindole
CID 91050746

Frequently Asked Questions

What is the IUPAC name of 6-ethenoxy-1-ethylindole?
The IUPAC name of 6-ethenoxy-1-ethylindole (CID 141210535) is 6-ethenoxy-1-ethylindole.
What is the SMILES notation for 6-ethenoxy-1-ethylindole?
The canonical SMILES for 6-ethenoxy-1-ethylindole is C=COc1ccc2ccn(CC)c2c1.
What is the InChIKey of 6-ethenoxy-1-ethylindole?
The InChIKey is CNNJNFQBTSVBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-13-8-7-10-5-6-11(14-4-2)9-12(10)13/h4-9H,2-3H2,1H3.
What are the key properties of 6-ethenoxy-1-ethylindole?
6-ethenoxy-1-ethylindole has a molecular weight of 187.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenoxy-1-ethylindole is sourced from PubChem (CID 141210535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).