7-Ethyl-1H-indole-3-carbaldehyde

C11H11NOCAS 154989-45-4173.21 g/mol

Open in Covalent MOL file
HNO
Aldehyde

Properties

Molecular formula
C11H11NO
Molar mass
173.21 g/mol
Exact mass
173.0841 Da
logP
2.54Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
154989-45-4
SMILES
CCC1=C2C(=CC=C1)C(=CN2)C=O
InChIKey
DKTNMUOPASFCOT-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO/c1-2-8-4-3-5-10-9(7-13)6-12-11(8)10/h3-7,12H,2H2,1H3

Weigh it out

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Work with 7-Ethyl-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

7-Methyl-1H-indole-3-carbaldehyde4771-50-061 % similar 7-Nitro-1H-indole-3-carboxaldehyde10553-14-753 % similar 7-Ethyl-1H-indole-3-ethanol41340-36-752 % similar 7-Benzyloxyindole-3-carbaldehyde92855-65-750 % similar Indole-3-carbaldehyde487-89-847 % similar 7-Azaindole-3-carboxaldehyde4649-09-643 % similar 7-Ethylindole22867-74-943 % similar 5-Ethoxy-1H-indole-3-carbaldehyde169789-47-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Quinolin-2-yl)ethanol1011-50-3 6-Methoxy-2-methylquinoline1078-28-0 Indole-3-acetone1201-26-9 1,2-Dimethyl-1H-indole-3-carboxaldehyde38292-40-9 6-Methoxy-4-methylquinoline41037-26-7 1-(4-Methoxyphenyl)-1H-pyrrole5145-71-1 Pyroquilon57369-32-1

Elsewhere

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