(3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile

C17H14N2 — CID 124636739

IUPAC(3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile
SMILESN#CC[C@H](c1ccccc1)c1cccc2[nH]ccc12
InChIInChI=1S/C17H14N2/c18-11-9-14(13-5-2-1-3-6-13)15-7-4-8-17-16(15)10-12-19-17/h1-8,10,12,14,19H,9H2/t14-/m1/s1
InChIKeyYBUWAIMCZNFEAN-CQSZACIVSA-N
MW246.31 g/mol
LogP4.21
Rot. Bonds3

About (3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile

(3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile (PubChem CID 124636739) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile.

Molecular Properties

Compound Name(3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile
PubChem CID124636739
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name(3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile
SMILESN#CC[C@H](c1ccccc1)c1cccc2[nH]ccc12
InChIInChI=1S/C17H14N2/c18-11-9-14(13-5-2-1-3-6-13)15-7-4-8-17-16(15)10-12-19-17/h1-8,10,12,14,19H,9H2/t14-/m1/s1
InChIKeyYBUWAIMCZNFEAN-CQSZACIVSA-N
XLogP4.21
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydroxy-4-(1H-indol-4-yl)butanenitrile
CID 171901139
1-(1H-indol-4-yl)-3-phenylbutan-1-ol
CID 115351872
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
CID 130708711
(3S)-3-amino-3-(4-hydroxy-1H-indol-5-yl)propanenitrile
CID 97056546
4-butan-2-yl-1H-indole;ethane
CID 143835108
1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol
CID 114200544
4-[imidazol-1-yl(1H-indol-4-yl)methyl]benzonitrile
CID 44577913
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171262573
3-(4-hydroxyphenyl)-3-phenylpropanenitrile
CID 150364879
3-amino-1-(1H-indol-4-yl)propan-1-ol
CID 54551349

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile?
The IUPAC name of (3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile (CID 124636739) is (3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile.
What is the SMILES notation for (3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile?
The canonical SMILES for (3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile is N#CC[C@H](c1ccccc1)c1cccc2[nH]ccc12.
What is the InChIKey of (3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile?
The InChIKey is YBUWAIMCZNFEAN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14N2/c18-11-9-14(13-5-2-1-3-6-13)15-7-4-8-17-16(15)10-12-19-17/h1-8,10,12,14,19H,9H2/t14-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile?
(3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile has a molecular weight of 246.31 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-4-yl)-3-phenylpropanenitrile is sourced from PubChem (CID 124636739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).