3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile

C18H14N2 — CID 102393521

IUPAC3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile
SMILESC=CC(c1ccccc1)c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C18H14N2/c1-2-15(14-6-4-3-5-7-14)17-12-20-18-9-8-13(11-19)10-16(17)18/h2-10,12,15,20H,1H2
InChIKeyIZDYFPNVVYKMOT-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.36
Rot. Bonds3

About 3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile

3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile (PubChem CID 102393521) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile
PubChem CID102393521
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile
SMILESC=CC(c1ccccc1)c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C18H14N2/c1-2-15(14-6-4-3-5-7-14)17-12-20-18-9-8-13(11-19)10-16(17)18/h2-10,12,15,20H,1H2
InChIKeyIZDYFPNVVYKMOT-UHFFFAOYSA-N
XLogP4.36
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1,5-diphenylpent-1-en-4-yn-3-yl)-1H-indole-5-carbonitrile
CID 134830615
3-(5-cyano-1H-indol-3-yl)-2,3-dihydroxypropanoic acid
CID 170825364
3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile
CID 175233892
4-chloro-3-[(1S)-1-phenylprop-2-enyl]-1H-indole
CID 134968895
3-[(1-benzhydrylazetidin-3-yl)methyl]-1H-indole-5-carbonitrile
CID 69204264
5-bromo-3-[(E,1S)-1,3-diphenylprop-2-enyl]-1H-indole
CID 101435557
3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole
CID 134968815
ethane;3-methyl-1H-indole-5-carbonitrile
CID 142817780
3-(3-azido-1,2-dihydroxypropyl)-1H-indole-5-carbonitrile
CID 170827417
3-[(E)-1-phenylbut-2-enyl]-1H-indole
CID 10776889
6-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]pyridine-3-carbonitrile
CID 93250153
4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 2489680

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile (CID 102393521) is 3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile is C=CC(c1ccccc1)c1c[nH]c2ccc(C#N)cc12.
What is the InChIKey of 3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile?
The InChIKey is IZDYFPNVVYKMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-2-15(14-6-4-3-5-7-14)17-12-20-18-9-8-13(11-19)10-16(17)18/h2-10,12,15,20H,1H2.
What are the key properties of 3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile?
3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 102393521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).