1-[(2,2-dichlorocyclopropyl)methyl]pyrrolidine

• ChemBase ID: 81185
• Molecular Formular: C8H13Cl2N
• Molecular Mass: 194.10152
• Monoisotopic Mass: 193.04250478
• SMILES: N1(CC2C(C2)(Cl)Cl)CCCC1
• Canonical SMILES: ClC1(Cl)CC1CN1CCCC1
• InChI: InChI=1S/C8H13Cl2N/c9-8(10)5-7(8)6-11-3-1-2-4-11/h7H,1-6H2
• InChIKey: HOZDTKKBQIMQPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2,2-dichlorocyclopropyl)methyl]pyrrolidine
• IUPAC Traditional name: 1-[(2,2-dichlorocyclopropyl)methyl]pyrrolidine
• Synonyms: 1-[(2,2-dichlorocyclopropyl)methyl]pyrrolidine

Database IDs

• MDL Number: MFCD00120737
• PubChem SID: 162068304
• PubChem CID: 2777031

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.89970833
• LogD (pH = 7.4): 0.813702
• Log P: 2.1056848
• Molar Refractivity: 49.4879 cm^3
• Polarizability: 19.21944 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true