N,N,2-trimethylpyrrolidine-2-carboxamide hydrochloride

• ChemBase ID: 62426
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(C1(NCCC1)C)N(C)C.Cl
• Canonical SMILES: CN(C(=O)C1(C)CCCN1)C.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-8(5-4-6-9-8)7(11)10(2)3;/h9H,4-6H2,1-3H3;1H
• InChIKey: PIFSKYNQTSJLAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,2-trimethylpyrrolidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N,N,2-trimethylpyrrolidine-2-carboxamide hydrochloride
• Synonyms: 2-Methyl-pyrrolidine-2-carboxylic acid dimethylamide hydrochloride

Database IDs

• MDL Number: MFCD21605980
• PubChem SID: 162028165
• PubChem CID: 71298724

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2383463
• LogD (pH = 7.4): -2.473276
• Log P: -0.023966005
• Molar Refractivity: 44.3932 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false