2-acetyl-1H-indole-3-carbonitrile

C11H8N2O — CID 10352353

IUPAC2-acetyl-1H-indole-3-carbonitrile
SMILESCC(=O)c1[nH]c2ccccc2c1C#N
InChIInChI=1S/C11H8N2O/c1-7(14)11-9(6-12)8-4-2-3-5-10(8)13-11/h2-5,13H,1H3
InChIKeyPPJJZNOXQCUOTG-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.24
Rot. Bonds1

About 2-acetyl-1H-indole-3-carbonitrile

2-acetyl-1H-indole-3-carbonitrile (PubChem CID 10352353) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-acetyl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-acetyl-1H-indole-3-carbonitrile
PubChem CID10352353
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-acetyl-1H-indole-3-carbonitrile
SMILESCC(=O)c1[nH]c2ccccc2c1C#N
InChIInChI=1S/C11H8N2O/c1-7(14)11-9(6-12)8-4-2-3-5-10(8)13-11/h2-5,13H,1H3
InChIKeyPPJJZNOXQCUOTG-UHFFFAOYSA-N
XLogP2.24
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(dimethylamino)-1H-indol-2-yl]ethanone
CID 124705743
2-formyl-1H-indole-3-carbonitrile
CID 59277563
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile
CID 10497907
3-(2-acetyl-1H-indol-3-yl)propanoic acid
CID 44720709
2-propoxy-1H-indole-3-carbonitrile
CID 142777137
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile
CID 172702505
2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 14447109
11,12-dihydroindolo[2,3-a]carbazole-5,6-dicarbonitrile
CID 131849022
2-(iodomethyl)-1H-indole-3-carbonitrile
CID 54202927
N-(2-azabicyclo[5.1.0]octan-8-yl)-3-cyano-1H-indole-2-carboxamide
CID 167750714
2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile
CID 141210513

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-1H-indole-3-carbonitrile?
The IUPAC name of 2-acetyl-1H-indole-3-carbonitrile (CID 10352353) is 2-acetyl-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-acetyl-1H-indole-3-carbonitrile?
The canonical SMILES for 2-acetyl-1H-indole-3-carbonitrile is CC(=O)c1[nH]c2ccccc2c1C#N.
What is the InChIKey of 2-acetyl-1H-indole-3-carbonitrile?
The InChIKey is PPJJZNOXQCUOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-7(14)11-9(6-12)8-4-2-3-5-10(8)13-11/h2-5,13H,1H3.
What are the key properties of 2-acetyl-1H-indole-3-carbonitrile?
2-acetyl-1H-indole-3-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-1H-indole-3-carbonitrile is sourced from PubChem (CID 10352353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).