2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile

C16H14N2 — CID 121255123

IUPAC2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H14N2/c17-12-16(13-6-2-1-3-7-13)18-11-10-14-8-4-5-9-15(14)18/h1-9,16H,10-11H2
InChIKeyYZQRPLKCLOQPFA-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.31
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile

2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile (PubChem CID 121255123) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile
PubChem CID121255123
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H14N2/c17-12-16(13-6-2-1-3-7-13)18-11-10-14-8-4-5-9-15(14)18/h1-9,16H,10-11H2
InChIKeyYZQRPLKCLOQPFA-UHFFFAOYSA-N
XLogP3.31
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydroindol-1-yl)-1,2-diphenylethanone
CID 139234692
2-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-2-phenylacetonitrile
CID 112799371
4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one
CID 82133752
3-(2,3-dihydroindol-1-yl)-3-phenylpropanethioamide
CID 62779934
2-phenyl-2-thiomorpholin-4-ylacetonitrile
CID 2825102
2,3-dihydroindol-1-ylsilane
CID 149251229
2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanol
CID 155093221
4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline
CID 82024554
1-(1-methoxypropyl)-2,3-dihydroindole
CID 89013403
5,6-dihydrobenzo[b][1]benzazepine-11-carbonitrile
CID 11160338
2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylacetaldehyde
CID 146470092
2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine
CID 16793061

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile (CID 121255123) is 2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile is N#CC(c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile?
The InChIKey is YZQRPLKCLOQPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-12-16(13-6-2-1-3-7-13)18-11-10-14-8-4-5-9-15(14)18/h1-9,16H,10-11H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile?
2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile has a molecular weight of 234.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-2-phenylacetonitrile is sourced from PubChem (CID 121255123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).