4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile

C20H19N3 — CID 176731956

IUPAC4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile
SMILESCN(CC=Cc1ccc(C#N)cc1)Cc1cccc2cc[nH]c12
InChIInChI=1S/C20H19N3/c1-23(13-3-4-16-7-9-17(14-21)10-8-16)15-19-6-2-5-18-11-12-22-20(18)19/h2-12,22H,13,15H2,1H3
InChIKeyQANYLSDEPBDSFN-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.18
Rot. Bonds5

About 4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile

4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile (PubChem CID 176731956) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile
PubChem CID176731956
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile
SMILESCN(CC=Cc1ccc(C#N)cc1)Cc1cccc2cc[nH]c12
InChIInChI=1S/C20H19N3/c1-23(13-3-4-16-7-9-17(14-21)10-8-16)15-19-6-2-5-18-11-12-22-20(18)19/h2-12,22H,13,15H2,1H3
InChIKeyQANYLSDEPBDSFN-UHFFFAOYSA-N
XLogP4.18
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile?
The IUPAC name of 4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile (CID 176731956) is 4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile.
What is the SMILES notation for 4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile?
The canonical SMILES for 4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile is CN(CC=Cc1ccc(C#N)cc1)Cc1cccc2cc[nH]c12.
What is the InChIKey of 4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile?
The InChIKey is QANYLSDEPBDSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-23(13-3-4-16-7-9-17(14-21)10-8-16)15-19-6-2-5-18-11-12-22-20(18)19/h2-12,22H,13,15H2,1H3.
What are the key properties of 4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile?
4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile has a molecular weight of 301.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1H-indol-7-ylmethyl(methyl)amino]prop-1-enyl]benzonitrile is sourced from PubChem (CID 176731956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).