1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

N-alkylpyrrolidines

Organic compounds

Organoheterocyclic compounds

Pyrrolidines

N-alkylpyrrolidines

Calculated Property

kind Value Source
logP 0.51 ALOGPS
logS 0.4 ALOGPS
Water Solubility 3.17e+02 g/l ALOGPS
logP 0.34 ChemAxon
IUPAC Name 1,5,5-trimethylpyrrolidin-2-one ChemAxon
Traditional IUPAC Name 1,5,5-trimethylpyrrolidin-2-one ChemAxon
Molecular Weight 127.1842 ChemAxon
Monoisotopic Weight 127.099714043 ChemAxon
SMILES CN1C(=O)CCC1(C)C ChemAxon
Molecular Formula C7H13NO ChemAxon
InChI InChI=1S/C7H13NO/c1-7(2)5-4-6(9)8(7)3/h4-5H2,1-3H3 ChemAxon
InChIKey InChIKey=YARDEGUIPATLSG-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 20.31 ChemAxon
Refractivity 36.21 ChemAxon
Polarizability 14.35 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -0.66 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Renin : in Human