chempirical

3-Acetamidopyrrolidine

C6H12N2OCAS 79286-74-1128.17 g/mol

Open in Covalent MOL file
OHNNH
AmideSecondary amine

Properties

Molecular formula
C6H12N2O
Molar mass
128.17 g/mol
Exact mass
128.0950 Da
logP
-0.52Crippen estimate
Polar surface area
41.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

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
79286-74-1
SMILES
CC(=O)NC1CCNC1
InChIKey
HDCCJUCOIKLZNM-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9)

Weigh it out

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

Work with 3-Acetamidopyrrolidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-(-)-3-Acetamidopyrrolidine114636-31-6Defined stereoisomer (3R)-(+)-3-Acetamidopyrrolidine131900-62-4Defined stereoisomer

Similar compounds

(S)-3-(Boc-amino)pyrrolidine122536-76-950 % similar (3S)-(-)-3-(Methylamino)pyrrolidine139015-32-045 % similar (3R)-N-Methyl-3-pyrrolidinamine139015-33-145 % similar 3-(Methylamino)pyrrolidine83030-08-445 % similar (3S)-N-Ethyl-3-pyrrolidinamine381670-31-142 % similar (S)-3-N-Cbz-aminopyrrolidine176970-12-041 % similar (R)-3-N-Cbz-aminopyrrolidine879275-77-141 % similar 3-(Boc-amino)piperidine172603-05-340 % similar

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

Same formula

(5S)-1,5-Dimethylpiperazin-2-one1068149-94-9 1-Acetylpiperazine13889-98-0 1-Aminocyclopentanecarboxamide17193-28-1 3-Aminoazepan-2-one17929-90-7 Pipecolamide19889-77-1 L-2-Aminohexano-6-lactam21568-87-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook