1H-Pyrrolo[3,2-c]pyridin-2(3H)-one

C₇H₆N₂OCAS 134682-54-5134.14 g/mol

Open in Covalent MOL file

Amide Lactam

Properties

Molecular formula: C₇H₆N₂O
Molar mass: 134.14 g/mol
Exact mass: 134.0480 Da
logP: 0.58Crippen estimate
Polar surface area: 42.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

134682-54-5

SMILES

C1C2=C(C=CN=C2)NC1=O

InChIKey

YAUVSURSWJMKFT-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2O/c10-7-3-5-4-8-2-1-6(5)9-7/h1-2,4H,3H2,(H,9,10)

Weigh it out

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

Names and synonyms

1 names

2H-Pyrrolo[3,2-C]pyridin-2-one,1,3-dihydro-(9ci)

Work with 1H-Pyrrolo[3,2-c]pyridin-2(3H)-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

5-Chlorooxindole17630-75-049 % similar 5-Bromo-2-oxindole20870-78-449 % similar 5-Aminooxindole20876-36-249 % similar 5-Hydroxyoxindole3416-18-049 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-449 % similar 5-Carboxyoxindole102359-00-245 % similar 5-Acetyl-2,3-dihydro-1H-indol-2-one64483-69-845 % similar 5-(Trifluoromethyl)oxindole71293-62-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Indazol-5-ol15579-15-4 2-Methoxy-5-pyridinecarbonitrile15871-85-9 1,3-Benzoxazol-6-amine177492-52-3 5-Hydroxy-3-methylpyridine-2-carbonitrile228867-86-5 1H-Indazol-6-ol23244-88-4 1,3-Dihydro-2H-pyrrolo[3,2-b]pyridin-2-one32501-05-6 3-Amino-1,2-benzisoxazole36216-80-5 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-4

Elsewhere

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