4-Methoxy-3-pyrrolin-2-one

C5H7NO2CAS 69778-83-2113.12 g/mol

Open in Covalent MOL file
OONH
AlkeneAmideEtherLactam

Properties

Molecular formula
C5H7NO2
Molar mass
113.12 g/mol
Exact mass
113.0477 Da
logP
-0.35Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
69778-83-2
SMILES
COC1=CC(=O)NC1
InChIKey
TXKQBYYDTLOLHA-UHFFFAOYSA-N
InChI
InChI=1S/C5H7NO2/c1-8-4-2-5(7)6-3-4/h2H,3H2,1H3,(H,6,7)

Weigh it out

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Names and synonyms

1 names
  • 4-Methoxy-2,5-dihydro-1H-pyrrol-2-one

Work with 4-Methoxy-3-pyrrolin-2-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

4-Methoxy-2(5H)-furanone69556-70-341 % similar Methyl 4-chloro-3-methoxycrotonate85153-60-238 % similar 1-Methoxycyclohexene931-57-734 % similar Dimethyl iminodiacetate hydrochloride39987-25-233 % similar Dimethyloxalylglycine89464-63-133 % similar Methyl fluoroacetate453-18-932 % similar Methyl sarcosinate hydrochloride13515-93-031 % similar Methyl 3-methyl-2-butenoate924-50-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl cyanoacetate105-56-6 N-Methylsuccinimide1121-07-9 Glutarimide1121-89-7 L-Propargylglycine23235-01-0 Ethyl isocyanoacetate2999-46-4 (5-Methyl-1,2-oxazol-3-yl)methanol35166-33-7 4-Cyanobutanoic acid39201-33-7 3,4-Dehydro-L-proline4043-88-3

Elsewhere

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