4-(Cyanoacetyl)morpholine

C₇H₁₀N₂O₂CAS 15029-32-0154.17 g/mol

Open in Covalent MOL file

Amide Ether Nitrile

Properties

Molecular formula: C₇H₁₀N₂O₂
Molar mass: 154.17 g/mol
Exact mass: 154.0742 Da
Melting point: 87 °C
logP: -0.24Crippen estimate
Polar surface area: 53.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H335 May cause respiratory irritation13.3% of notifiers

Aggregated from 45 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

15029-32-0

SMILES

N#CCC(=O)N1CCOCC1

InChIKey

AUZPMUJGZZSMCP-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O2/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2

Weigh it out

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

Names and synonyms

12 names

4-Morpholinepropanenitrile, β-oxo-
Morpholine, 4-(cyanoacetyl)-
4-Morpholinepropionitrile, β-oxo-
β-Oxo-4-morpholinepropanenitrile
N-(Cyanoacetyl)morpholine
(Morpholinocarbonyl)acetonitrile
Cyanoacetic acid morpholide
NSC 22791
3-(4-Morpholinyl)-3-oxopropanenitrile
(Morpholin-4-ylcarbonyl)acetonitrile
3-Morpholin-4-yl-3-oxopropionitrile
3-Morpholino-3-oxopropanenitrile

Work with 4-(Cyanoacetyl)morpholine

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

β-Oxo-1-pyrrolidinepropanenitrile14227-95-368 % similar β-Oxo-1-piperidinepropanenitrile15029-30-866 % similar 2-Cyano-N,N-diethylacetamide26391-06-055 % similar 4-(Chloroacetyl)morpholine1440-61-553 % similar 2-Cyano-N,N-dimethylacetamide7391-40-448 % similar 2-Amino-1-(4-morpholinyl)ethanone hydrochloride24152-96-347 % similar 4-(1-Piperazinylacetyl)morpholine39890-46-544 % similar 2,5-Dioxopyrrolidin-1-yl 2-cyanoacetate56657-76-243 % similar

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

Same formula

Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-4 N,N'-Methylenebisacrylamide110-26-9 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-7 4,6-Dimethoxy-2-methylpyrimidine13566-48-8 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-4 Ethyl 2-(1H-imidazol-1-yl)acetate17450-34-9 3-(2-Methyl-1H-imidazol-1-yl)propanoic acid24647-62-9 Ethyl 1-methylimidazole-2-carboxylate30148-21-1

Elsewhere

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