4-(2-methylpyrrolidine-2-carbonyl)morpholine hydrochloride

• ChemBase ID: 62428
• Molecular Formular: C10H19ClN2O2
• Molecular Mass: 234.72306
• Monoisotopic Mass: 234.11350554
• SMILES: C(=O)(N1CCOCC1)C1(NCCC1)C.Cl
• Canonical SMILES: O=C(C1(C)CCCN1)N1CCOCC1.Cl
• InChI: InChI=1S/C10H18N2O2.ClH/c1-10(3-2-4-11-10)9(13)12-5-7-14-8-6-12;/h11H,2-8H2,1H3;1H
• InChIKey: INHOVZUKBDBTDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methylpyrrolidine-2-carbonyl)morpholine hydrochloride
• IUPAC Traditional name: 4-(2-methylpyrrolidine-2-carbonyl)morpholine hydrochloride
• Synonyms: (2-Methyl-pyrrolidin-2-yl)-morpholin-4-yl-methanone hydrochloride

Database IDs

• MDL Number: MFCD21605982
• PubChem SID: 162028167
• PubChem CID: 71298726

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.456785
• LogD (pH = 7.4): -2.6909394
• Log P: -0.24246645
• Molar Refractivity: 53.4677 cm^3
• Polarizability: 21.132917 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false