1,5,6,7-Tetrahydro-4H-indol-4-one
Properties
- Molecular formula
- C8H9NO
- Molar mass
- 135.17 g/mol
- Exact mass
- 135.0684 Da
- Melting point
- 187–188 °C
- Boiling point
- 160–180 °C (at 0.02 Torr)
- logP
- 1.53Crippen estimate
- Polar surface area
- 32.9 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 41 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
13754-86-4SMILES
O=C1CCCc2[nH]ccc21InChIKey
KASJZXHXXNEULX-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 4H-Indol-4-one, 1,5,6,7-tetrahydro-
- Indol-4(5H)-one, 6,7-dihydro-
- 4-Oxo-4,5,6,7-tetrahydroindole
- 4,5,6,7-Tetrahydro-4-indolone
- 4,5,6,7-Tetrahydro-4-oxoindole
- 1,5,6,7-Tetrahydroindol-4-one
- NSC 131681
- 6,7-Dihydro-1H-indol-4(5H)-one
Work with 1,5,6,7-Tetrahydro-4H-indol-4-one
Similar compounds
2-Hydroxy-7,8-dihydro-5(6H)-quinolinone15450-69-857 % similar
1-Tetralone529-34-047 % similar
7-Methyl-1-tetralone22009-37-645 % similar
6-Amino-1,2,3,4-tetrahydronaphthalen-1-one3470-53-945 % similar
4,5,6,7-Tetrahydro-4-oxothionaphthene13414-95-444 % similar
6,7-Dihydro-4(5H)-benzofuranone16806-93-244 % similar
1,2,3,9-Tetrahydro-4H-carbazol-4-one15128-52-643 % similar
6,7-Dihydro-5H-isoquinolin-8-one21917-88-442 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds