2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile

C16H13N3 — CID 10879441

IUPAC2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile
SMILESN#CCc1c(-c2ccccc2N)[nH]c2ccccc12
InChIInChI=1S/C16H13N3/c17-10-9-12-11-5-2-4-8-15(11)19-16(12)13-6-1-3-7-14(13)18/h1-8,19H,9,18H2
InChIKeySBCVGYZESBEWBS-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.48
Rot. Bonds2

About 2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile

2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile (PubChem CID 10879441) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile
PubChem CID10879441
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile
SMILESN#CCc1c(-c2ccccc2N)[nH]c2ccccc12
InChIInChI=1S/C16H13N3/c17-10-9-12-11-5-2-4-8-15(11)19-16(12)13-6-1-3-7-14(13)18/h1-8,19H,9,18H2
InChIKeySBCVGYZESBEWBS-UHFFFAOYSA-N
XLogP3.48
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(trifluoromethyl)-1H-indol-3-yl]acetonitrile
CID 15271069
2-(2-phenylsulfanyl-1H-indol-3-yl)acetonitrile
CID 177414346
2-(2-aminonaphthalen-1-yl)acetonitrile
CID 119016645
2-[2-[dimethyl(phenyl)silyl]-1H-indol-3-yl]acetonitrile
CID 46868534
[2-(2-methylphenyl)-1H-indol-3-yl]methanamine
CID 22689271
2-[2-[(E)-4-phenylbut-1-enyl]-1H-indol-3-yl]acetonitrile
CID 11150357
2-(2-naphthalen-1-yl-9H-carbazol-1-yl)aniline
CID 175875645
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
2-(1H-indol-3-yl)aniline
CID 25210227
2-(3-phenyl-9H-carbazol-2-yl)aniline
CID 175440739
3-amino-2-(2-methylphenyl)-1H-quinolin-4-one
CID 11630194

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile?
The IUPAC name of 2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile (CID 10879441) is 2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile is N#CCc1c(-c2ccccc2N)[nH]c2ccccc12.
What is the InChIKey of 2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile?
The InChIKey is SBCVGYZESBEWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c17-10-9-12-11-5-2-4-8-15(11)19-16(12)13-6-1-3-7-14(13)18/h1-8,19H,9,18H2.
What are the key properties of 2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile?
2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile has a molecular weight of 247.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)-1H-indol-3-yl]acetonitrile is sourced from PubChem (CID 10879441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).