1-(3-phenylpropyl)indole-4-carbonitrile

C18H16N2 — CID 107918950

IUPAC1-(3-phenylpropyl)indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCCc1ccccc1
InChIInChI=1S/C18H16N2/c19-14-16-9-4-10-18-17(16)11-13-20(18)12-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-11,13H,5,8,12H2
InChIKeyILYNBMLAPFXUKV-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.15
Rot. Bonds4

About 1-(3-phenylpropyl)indole-4-carbonitrile

1-(3-phenylpropyl)indole-4-carbonitrile (PubChem CID 107918950) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-phenylpropyl)indole-4-carbonitrile.

Molecular Properties

Compound Name1-(3-phenylpropyl)indole-4-carbonitrile
PubChem CID107918950
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name1-(3-phenylpropyl)indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCCc1ccccc1
InChIInChI=1S/C18H16N2/c19-14-16-9-4-10-18-17(16)11-13-20(18)12-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-11,13H,5,8,12H2
InChIKeyILYNBMLAPFXUKV-UHFFFAOYSA-N
XLogP4.15
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylbutyl)indole-4-carbonitrile
CID 107919078
1-(4-aminobutyl)indole-4-carbonitrile
CID 107918909
1-pent-4-ynylindole-4-carbonitrile
CID 107918825
4-bromo-1-(3-phenylpropyl)indole
CID 116625927
1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349
1-(3-methylbut-3-enyl)indole-4-carbonitrile
CID 107919182
4-bromo-1-(4-phenylbutyl)indole
CID 114334837
1-(3,3,3-trifluoropropyl)indole-4-carbonitrile
CID 107918977
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile
CID 107919185
1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile
CID 107919030
1-(3-hydroxybutyl)indole-4-carbonitrile
CID 107918979

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)indole-4-carbonitrile?
The IUPAC name of 1-(3-phenylpropyl)indole-4-carbonitrile (CID 107918950) is 1-(3-phenylpropyl)indole-4-carbonitrile.
What is the SMILES notation for 1-(3-phenylpropyl)indole-4-carbonitrile?
The canonical SMILES for 1-(3-phenylpropyl)indole-4-carbonitrile is N#Cc1cccc2c1ccn2CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)indole-4-carbonitrile?
The InChIKey is ILYNBMLAPFXUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c19-14-16-9-4-10-18-17(16)11-13-20(18)12-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-11,13H,5,8,12H2.
What are the key properties of 1-(3-phenylpropyl)indole-4-carbonitrile?
1-(3-phenylpropyl)indole-4-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)indole-4-carbonitrile is sourced from PubChem (CID 107918950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).