1,2,3,9-Tetrahydro-4H-carbazol-4-one

C₁₂H₁₁NOCAS 15128-52-6185.23 g/mol

Open in Covalent MOL file

Ketone

Properties

Molecular formula: C₁₂H₁₁NO
Molar mass: 185.23 g/mol
Exact mass: 185.0841 Da
Melting point: 223 °C
logP: 2.69Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed25% of notifiers
H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation50% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15128-52-6

SMILES

O=C1CCCc2[nH]c3ccccc3c21

InChIKey

DSXKDTZEIWTHRO-UHFFFAOYSA-N

InChI

InChI=1S/C12H11NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-2,4-5,13H,3,6-7H2

Weigh it out

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

Names and synonyms

10 names

4H-Carbazol-4-one, 1,2,3,9-tetrahydro-
Carbazol-4(1H)-one, 2,3-dihydro-
2,3-Dihydrocarbazol-4(1H)-one
4-Oxo-1,2,3,4-tetrahydrocarbazole
1,2,3,4-Tetrahydro-4-oxocarbazole
1,2,3,4-Tetrahydrocarbazol-4-one
1,2-Dihydro-4(3H)-carbazolone
1,2,3,9-Tetrahydro-carbazole-4-one
1,2,3,9-Tetrahydro-carbazol-4-one
2,3,4,9-Tetrahydro-1H-carbazol-4-one

Work with 1,2,3,9-Tetrahydro-4H-carbazol-4-one

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

2,3-Dihydro-1H-phenanthren-4-one778-48-349 % similar 1,2,3,4-Tetrahydrocarbazole942-01-849 % similar 6,7,8,9,10,11-Hexahydro-5H-cycloocta[B]indole22793-63-147 % similar 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one27387-31-145 % similar 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone15450-69-843 % similar Tacrine321-64-243 % similar 1,5,6,7-Tetrahydro-4H-indol-4-one13754-86-443 % similar 1-Tetralone529-34-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hydroxydiphenylamine101-18-8 2-Amino-4-phenylphenol1134-36-7 4-Hydroxydiphenylamine122-37-2 (4-Aminophenoxy)benzene139-59-3 2-Phenoxyaniline2688-84-8 2,2-Dimethyl-2H-chromene-6-carbonitrile33143-29-2 3-Phenoxybenzenamine3586-12-7 Pirfenidone53179-13-8

Elsewhere

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