1-acetyl-2,3-dihydroindole-4-carbonitrile

C11H10N2O — CID 82655574

IUPAC1-acetyl-2,3-dihydroindole-4-carbonitrile
SMILESCC(=O)N1CCc2c(C#N)cccc21
InChIInChI=1S/C11H10N2O/c1-8(14)13-6-5-10-9(7-12)3-2-4-11(10)13/h2-4H,5-6H2,1H3
InChIKeyQAWGVXNSVQEZJY-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.47
Rot. Bonds

About 1-acetyl-2,3-dihydroindole-4-carbonitrile

1-acetyl-2,3-dihydroindole-4-carbonitrile (PubChem CID 82655574) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-acetyl-2,3-dihydroindole-4-carbonitrile.

Molecular Properties

Compound Name1-acetyl-2,3-dihydroindole-4-carbonitrile
PubChem CID82655574
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-acetyl-2,3-dihydroindole-4-carbonitrile
SMILESCC(=O)N1CCc2c(C#N)cccc21
InChIInChI=1S/C11H10N2O/c1-8(14)13-6-5-10-9(7-12)3-2-4-11(10)13/h2-4H,5-6H2,1H3
InChIKeyQAWGVXNSVQEZJY-UHFFFAOYSA-N
XLogP1.47
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-4-carbonitrile
CID 119008445
1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 19598465
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
1-amino-2,3-dihydroindole-4-carbonitrile
CID 175227069
1-(2-methyl-6-oxopiperidine-4-carbonyl)-2,3-dihydroindole-4-carbonitrile
CID 167761414
1-(2-chloroacetyl)-3,4-dihydro-2H-quinoline-5-carbonitrile
CID 166409152
1-[(2S)-3-(2-cyanophenoxy)-2-hydroxy-2-methylpropanoyl]-2,3-dihydroindole-4-carbonitrile
CID 90655070
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
1-[4-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014569
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
CID 84713660
1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone
CID 117362996
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,3-dihydroindole-4-carbonitrile?
The IUPAC name of 1-acetyl-2,3-dihydroindole-4-carbonitrile (CID 82655574) is 1-acetyl-2,3-dihydroindole-4-carbonitrile.
What is the SMILES notation for 1-acetyl-2,3-dihydroindole-4-carbonitrile?
The canonical SMILES for 1-acetyl-2,3-dihydroindole-4-carbonitrile is CC(=O)N1CCc2c(C#N)cccc21.
What is the InChIKey of 1-acetyl-2,3-dihydroindole-4-carbonitrile?
The InChIKey is QAWGVXNSVQEZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-8(14)13-6-5-10-9(7-12)3-2-4-11(10)13/h2-4H,5-6H2,1H3.
What are the key properties of 1-acetyl-2,3-dihydroindole-4-carbonitrile?
1-acetyl-2,3-dihydroindole-4-carbonitrile has a molecular weight of 186.21 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,3-dihydroindole-4-carbonitrile is sourced from PubChem (CID 82655574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).