ethanol;1-ethylindole-6-carbonitrile

C13H16N2O — CID 143239367

IUPACethanol;1-ethylindole-6-carbonitrile
SMILESCCO.CCn1ccc2ccc(C#N)cc21
InChIInChI=1S/C11H10N2.C2H6O/c1-2-13-6-5-10-4-3-9(8-12)7-11(10)13;1-2-3/h3-7H,2H2,1H3;3H,2H2,1H3
InChIKeyDUAOIUGIDVWWKW-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.53
Rot. Bonds1

About ethanol;1-ethylindole-6-carbonitrile

ethanol;1-ethylindole-6-carbonitrile (PubChem CID 143239367) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is ethanol;1-ethylindole-6-carbonitrile.

Molecular Properties

Compound Nameethanol;1-ethylindole-6-carbonitrile
PubChem CID143239367
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Nameethanol;1-ethylindole-6-carbonitrile
SMILESCCO.CCn1ccc2ccc(C#N)cc21
InChIInChI=1S/C11H10N2.C2H6O/c1-2-13-6-5-10-4-3-9(8-12)7-11(10)13;1-2-3/h3-7H,2H2,1H3;3H,2H2,1H3
InChIKeyDUAOIUGIDVWWKW-UHFFFAOYSA-N
XLogP2.53
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypropyl)indole-6-carbonitrile
CID 15490884
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
1-(2-oxopentyl)indole-6-carbonitrile
CID 107916852
1-(3-methyl-2-oxobutyl)indole-6-carbonitrile
CID 107916815
2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide
CID 114015633
1-prop-2-enylindole-6-carbonitrile
CID 107917180
1-(2-propylsulfonylethyl)indole-6-carbonitrile
CID 107917116
1-hydroxyindole-6-carbonitrile
CID 13415512
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile
CID 107917152
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
1-[(1-methylpyrazol-3-yl)methyl]indole-6-carbonitrile
CID 107917098

Frequently Asked Questions

What is the IUPAC name of ethanol;1-ethylindole-6-carbonitrile?
The IUPAC name of ethanol;1-ethylindole-6-carbonitrile (CID 143239367) is ethanol;1-ethylindole-6-carbonitrile.
What is the SMILES notation for ethanol;1-ethylindole-6-carbonitrile?
The canonical SMILES for ethanol;1-ethylindole-6-carbonitrile is CCO.CCn1ccc2ccc(C#N)cc21.
What is the InChIKey of ethanol;1-ethylindole-6-carbonitrile?
The InChIKey is DUAOIUGIDVWWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2.C2H6O/c1-2-13-6-5-10-4-3-9(8-12)7-11(10)13;1-2-3/h3-7H,2H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;1-ethylindole-6-carbonitrile?
ethanol;1-ethylindole-6-carbonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1-ethylindole-6-carbonitrile is sourced from PubChem (CID 143239367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).