1-Benzyl-1H-indole-3-carbaldehyde

C16H13NOCAS 10511-51-0235.29 g/mol

Open in Covalent MOL file
NO
Aldehyde

Properties

Molecular formula
C16H13NO
Molar mass
235.29 g/mol
Exact mass
235.0997 Da
logP
3.50Crippen estimate
Polar surface area
22.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number
10511-51-0
SMILES
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=O
InChIKey
OXCITQLDOUGVRZ-UHFFFAOYSA-N
InChI
InChI=1S/C16H13NO/c18-12-14-11-17(10-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,11-12H,10H2

Weigh it out

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

Work with 1-Benzyl-1H-indole-3-carbaldehyde

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

3-Formyl-1H-indole-1-acetic acid138423-98-057 % similar 1-Methylindole-3-carboxaldehyde19012-03-453 % similar 1-(Phenylmethyl)-1H-indole-3-carboxylic acid27018-76-451 % similar 1-Acetylindole-3-carboxaldehyde22948-94-348 % similar 1-Benzyl-1H-imidazole-5-carboxaldehyde85102-99-445 % similar 1-Benzyl-1H-pyrazole-4-carbaldehyde63874-95-342 % similar 1-Benzylindole3377-71-741 % similar 1-Benzyl-1H-indazol-3-ol2215-63-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methyl-2-phenyl-1H-indole-3-carboxaldehyde1757-72-8 5-Methyl-3,4-diphenyl-isoxazole37928-17-9 3-Benzoyl-α-methylbenzeneacetonitrile42872-30-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook