1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile

C15H18N2O — CID 107920442

IUPAC1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile
SMILESCC(C)COCCn1ccc2cc(C#N)ccc21
InChIInChI=1S/C15H18N2O/c1-12(2)11-18-8-7-17-6-5-14-9-13(10-16)3-4-15(14)17/h3-6,9,12H,7-8,11H2,1-2H3
InChIKeyOPVLEVXPZJPQDW-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.19
Rot. Bonds5

About 1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile

1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile (PubChem CID 107920442) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile
PubChem CID107920442
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile
SMILESCC(C)COCCn1ccc2cc(C#N)ccc21
InChIInChI=1S/C15H18N2O/c1-12(2)11-18-8-7-17-6-5-14-9-13(10-16)3-4-15(14)17/h3-6,9,12H,7-8,11H2,1-2H3
InChIKeyOPVLEVXPZJPQDW-UHFFFAOYSA-N
XLogP3.19
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile
CID 114268853
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
CID 106457576
1-(3-oxobutyl)indole-5-carbonitrile
CID 107919976
1-(3-hydroxy-3-methylbutyl)indole-5-carbonitrile
CID 114015947
1-(2-methylsulfonylethyl)indole-5-carbonitrile
CID 114015955
1-(4-oxopentyl)indole-5-carbonitrile
CID 107919956
3-(5-cyanoindol-1-yl)-2-methylpropanamide
CID 107920443
1-(2-tert-butylsulfonylethyl)indole-5-carbonitrile
CID 107920167
1-(2-anilinoethyl)indole-5-carbonitrile
CID 107920038
1-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]indole-5-carbonitrile
CID 69489009
(4-cyanophenyl)methyl 2-[3-(5-cyanoindol-1-yl)propanoylamino]propanoate
CID 70078914

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile?
The IUPAC name of 1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile (CID 107920442) is 1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile.
What is the SMILES notation for 1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile?
The canonical SMILES for 1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile is CC(C)COCCn1ccc2cc(C#N)ccc21.
What is the InChIKey of 1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile?
The InChIKey is OPVLEVXPZJPQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(2)11-18-8-7-17-6-5-14-9-13(10-16)3-4-15(14)17/h3-6,9,12H,7-8,11H2,1-2H3.
What are the key properties of 1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile?
1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile is sourced from PubChem (CID 107920442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).