1-(2-propan-2-yloxyethyl)indole-6-carbonitrile

C14H16N2O — CID 107917142

IUPAC1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
SMILESCC(C)OCCn1ccc2ccc(C#N)cc21
InChIInChI=1S/C14H16N2O/c1-11(2)17-8-7-16-6-5-13-4-3-12(10-15)9-14(13)16/h3-6,9,11H,7-8H2,1-2H3
InChIKeyAIUKDUNRULHGDH-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-propan-2-yloxyethyl)indole-6-carbonitrile

1-(2-propan-2-yloxyethyl)indole-6-carbonitrile (PubChem CID 107917142) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)indole-6-carbonitrile.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
PubChem CID107917142
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
SMILESCC(C)OCCn1ccc2ccc(C#N)cc21
InChIInChI=1S/C14H16N2O/c1-11(2)17-8-7-16-6-5-13-4-3-12(10-15)9-14(13)16/h3-6,9,11H,7-8H2,1-2H3
InChIKeyAIUKDUNRULHGDH-UHFFFAOYSA-N
XLogP2.94
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypropyl)indole-6-carbonitrile
CID 15490884
1-pent-4-enylindole-6-carbonitrile
CID 107917054
1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile
CID 107920442
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638
1-[(1-methylpyrazol-3-yl)methyl]indole-6-carbonitrile
CID 107917098
1-(3-methyl-2-oxobutyl)indole-6-carbonitrile
CID 107916815
1-prop-2-enylindole-6-carbonitrile
CID 107917180
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
1-(2-propylsulfonylethyl)indole-6-carbonitrile
CID 107917116
1-[2-(heptan-2-ylamino)ethyl]indole-6-carbonitrile
CID 107916926
5-fluoro-1-(2-propan-2-yloxyethyl)indole
CID 55258510

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)indole-6-carbonitrile?
The IUPAC name of 1-(2-propan-2-yloxyethyl)indole-6-carbonitrile (CID 107917142) is 1-(2-propan-2-yloxyethyl)indole-6-carbonitrile.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)indole-6-carbonitrile?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)indole-6-carbonitrile is CC(C)OCCn1ccc2ccc(C#N)cc21.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)indole-6-carbonitrile?
The InChIKey is AIUKDUNRULHGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11(2)17-8-7-16-6-5-13-4-3-12(10-15)9-14(13)16/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethyl)indole-6-carbonitrile?
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile has a molecular weight of 228.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)indole-6-carbonitrile is sourced from PubChem (CID 107917142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).