chempirical

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

C13H13NOCAS 27387-31-1199.25 g/mol

Open in Covalent MOL file
NO
Ketone

Properties

Molecular formula
C13H13NO
Molar mass
199.25 g/mol
Exact mass
199.0997 Da
Melting point
195 °C
logP
2.70Crippen estimate
Polar surface area
22.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
27387-31-1
SMILES
Cn1c2c(c3ccccc31)C(=O)CCC2
InChIKey
HHJUJCWZKJMCLC-UHFFFAOYSA-N
InChI
InChI=1S/C13H13NO/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(13)15/h2-3,5-6H,4,7-8H2,1H3

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Names and synonyms

3 names
  • 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-
  • Carbazol-4(1H)-one, 2,3-dihydro-9-methyl-
  • 1,2,3,9-Tetrahydro-9-methyl-4H-carbazole-4-one

Work with 1,2,3,9-Tetrahydro-9-methyl-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

2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-B]indol-1-one122852-75-951 % similar 1,2,3,9-Tetrahydro-4H-carbazol-4-one15128-52-645 % similar 3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride99614-70-745 % similar N-Methylacridone719-54-045 % similar N-Methylcarbazole1484-12-443 % similar 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-742 % similar Ondansetron116002-70-141 % similar Ondansetron99614-02-541 % similar

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

Same formula

3-Methoxydiphenylamine101-16-6 4-(Benzylamino)phenol103-14-0 4-Phenoxybenzenemethanamine107622-80-0 N-(4-Methoxyphenyl)aniline1208-86-2 2-Aminobenzhydrol13209-38-6 3-(Benzyloxy)aniline1484-26-0 2-Benzyloxyaniline20012-63-9 4-Oxo-1-phenylcyclohexanecarbonitrile25115-74-6

Elsewhere

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