1-Acetylindole-3-carboxaldehyde

C11H9NO2CAS 22948-94-3187.20 g/mol

Open in Covalent MOL file
ONO
Aldehyde

Properties

Molecular formula
C11H9NO2
Molar mass
187.20 g/mol
Exact mass
187.0633 Da
Melting point
159–162 °C
logP
2.11Crippen estimate
Polar surface area
39.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
22948-94-3
SMILES
CC(=O)n1cc(C=O)c2ccccc21
InChIKey
LCJLFGSKHBDOAY-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-7H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • N-Acetyl-3-indolecarboxaldehyde
  • 1H-Indole-3-carboxaldehyde, 1-acetyl-
  • Indole-3-carboxaldehyde, 1-acetyl-
  • 1-Acetyl-1H-indole-3-carboxaldehyde
  • N-Acetyl-1H-indole-3-carboxaldehyde
  • N-Acetylindol-3-carboxaldehyde
  • NSC 61289
  • 1-Acetyl-3-formyl-1H-indole
  • 1-Acetyl-3-formylindole
  • 1-Acetyl-1H-indole-3-carbaldehyde
  • 1-Acetylindole-3-carbaldehyde

Work with 1-Acetylindole-3-carboxaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(3-Hydroxy-1H-indol-1-yl)ethanone33025-60-461 % similar 1,1′-(1H-Indole-1,3-diyl)bis[ethanone]17537-64-359 % similar 1-Methylindole-3-carboxaldehyde19012-03-457 % similar 3-Formyl-1H-indole-1-acetic acid138423-98-050 % similar 1-Benzyl-1H-indole-3-carbaldehyde10511-51-048 % similar 1-(1H-Indol-1-yl)ethanone576-15-846 % similar N-Acetyl-5-bromo-3-hydroxyindole114165-30-944 % similar 1,2-Dimethyl-1H-indole-3-carboxaldehyde38292-40-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1H-Pyrrol-1-yl)benzoic acid10333-68-3 6-Amino-2-naphthoic acid116668-47-4 Indole-3-acrylic acid1204-06-4 Benzylmaleimide1631-26-1 N-(4-Methylphenyl)maleimide1631-28-3 4-(1H-Pyrrol-1-yl)benzoic acid22106-33-8 8-Acetoxyquinoline2598-29-0 Methyl 3-isoquinolinecarboxylate27104-73-0

Elsewhere

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