acetonitrile;1-ethylindole

C12H14N2 — CID 91050746

IUPACacetonitrile;1-ethylindole
SMILESCC#N.CCn1ccc2ccccc21
InChIInChI=1S/C10H11N.C2H3N/c1-2-11-8-7-9-5-3-4-6-10(9)11;1-2-3/h3-8H,2H2,1H3;1H3
InChIKeyMKKCYJOURGYDNK-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.19
Rot. Bonds1

About acetonitrile;1-ethylindole

acetonitrile;1-ethylindole (PubChem CID 91050746) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is acetonitrile;1-ethylindole.

Molecular Properties

Compound Nameacetonitrile;1-ethylindole
PubChem CID91050746
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Nameacetonitrile;1-ethylindole
SMILESCC#N.CCn1ccc2ccccc21
InChIInChI=1S/C10H11N.C2H3N/c1-2-11-8-7-9-5-3-4-6-10(9)11;1-2-3/h3-8H,2H2,1H3;1H3
InChIKeyMKKCYJOURGYDNK-UHFFFAOYSA-N
XLogP3.19
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethylindole;propane
CID 91144409
1-[(1-ethylimidazol-2-yl)methyl]indole
CID 63811583
1-[(4-ethylpiperazin-1-yl)methyl]indole
CID 142782259
(2S,3S)-1,4-di(indol-1-yl)butane-2,3-diol
CID 131853579
1-(3-ethylsulfonylpropyl)indole
CID 65097244
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
1-[[3,5-bis(indol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]indole
CID 102177432
1-indol-1-yl-N,N-dimethylpropan-2-amine
CID 154694251
2-[1-(indol-1-ylmethyl)cyclopropyl]acetonitrile
CID 65497881
1-(2-fluoroethyl)indole
CID 80694500
CID 58655955
CID 58655955

Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-ethylindole?
The IUPAC name of acetonitrile;1-ethylindole (CID 91050746) is acetonitrile;1-ethylindole.
What is the SMILES notation for acetonitrile;1-ethylindole?
The canonical SMILES for acetonitrile;1-ethylindole is CC#N.CCn1ccc2ccccc21.
What is the InChIKey of acetonitrile;1-ethylindole?
The InChIKey is MKKCYJOURGYDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C2H3N/c1-2-11-8-7-9-5-3-4-6-10(9)11;1-2-3/h3-8H,2H2,1H3;1H3.
What are the key properties of acetonitrile;1-ethylindole?
acetonitrile;1-ethylindole has a molecular weight of 186.26 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1-ethylindole is sourced from PubChem (CID 91050746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).