1-Acetyl-5-amino-2,3-dihydro-(1H)-indole

C₁₀H₁₂N₂OCAS 4993-96-8176.22 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₁₀H₁₂N₂O
Molar mass: 176.22 g/mol
Exact mass: 176.0950 Da
logP: 1.18Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4993-96-8

SMILES

CC(=O)N1CCC2=C1C=CC(=C2)N

InChIKey

WSDUFDGEYKOQRT-UHFFFAOYSA-N

InChI

InChI=1S/C10H12N2O/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5,11H2,1H3

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Names and synonyms

1 names

1-(5-Amino-2,3-dihydro-1H-indol-1-yl)ethan-1-one

Work with 1-Acetyl-5-amino-2,3-dihydro-(1H)-indole

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-Acetyl-5-bromoindoline22190-38-165 % similar 1-Acetylindoline16078-30-161 % similar 1-Acetyl-5-nitroindoline33632-27-859 % similar 1-Acetyl-6-amino-3,3-dimethylindoline453562-71-550 % similar 1-(3-Amino-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)ethanone84803-67-850 % similar N-(4-Aminophenyl)-N-methylacetamide119-63-140 % similar 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-940 % similar tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate171049-41-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,2,3,4-Tetrahydroisoquinoline-3-carboxamide112794-29-3 1H-Benzimidazole-2-propanol2403-66-9 6-(Pyrrolidin-1-yl)pyridine-3-carbaldehyde261715-39-3 4-Methyl-1-phenyl-3-pyrazolidone2654-57-1 Serotonin50-67-9 3-Phenylpiperazin-2-one5368-28-5 3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one55314-16-4 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole68981-86-2

Elsewhere

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