1-Methylpyrrolidin-3-one

C₅H₉NOCAS 68165-06-099.13 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₅H₉NO
Molar mass: 99.13 g/mol
Exact mass: 99.0684 Da
logP: -0.11Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

68165-06-0

SMILES

CN1CCC(=O)C1

InChIKey

SLPUTJFVMJPMKV-UHFFFAOYSA-N

InChI

InChI=1S/C5H9NO/c1-6-3-2-5(7)4-6/h2-4H2,1H3

Weigh it out

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

Names and synonyms

1 names

3-Pyrrolidone, 1-methyl-

Work with 1-Methylpyrrolidin-3-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

1-Methyl-4-piperidone1445-73-471 % similar 1-Methylhexahydro-4-azepinone hydrochloride19869-42-254 % similar 1-Methyl-3-oxopiperazine34770-60-041 % similar 1-Ethyl-4-piperidinone3612-18-841 % similar 1-N-Ethoxycarbonyl-3-pyrrolidone14891-10-239 % similar 1-Propyl-4-piperidone23133-37-139 % similar 1-Acetyl-4-piperidone32161-06-139 % similar 1-Isopropyl-4-piperidinone5355-68-039 % similar

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

Same formula

2-Ethyl-2-oxazoline10431-98-8 Butyl isocyanate111-36-4 4-Amino-3-penten-2-one1118-66-7 Cyclopentanone oxime1192-28-5 Cyclobutanecarboxamide1503-98-6 tert-Butyl isocyanate1609-86-5 2-Oxa-6-azaspiro[3.3]heptane174-78-7 3-Ethoxypropanenitrile2141-62-0

Elsewhere

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