1-cyclopentyl-4-[(methylamino)methyl]pyrrolidin-2-one

• ChemBase ID: 144346
• Molecular Formular: C11H20N2O
• Molecular Mass: 196.2893
• Monoisotopic Mass: 196.15756327
• SMILES: CNCC1CC(=O)N(C1)C1CCCC1
• Canonical SMILES: CNCC1CN(C(=O)C1)C1CCCC1
• InChI: InChI=1S/C11H20N2O/c1-12-7-9-6-11(14)13(8-9)10-4-2-3-5-10/h9-10,12H,2-8H2,1H3
• InChIKey: HZBAEZTWEGMIPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-4-[(methylamino)methyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-cyclopentyl-4-[(methylamino)methyl]pyrrolidin-2-one
• Synonyms: 1-Cyclopentyl-4-[(methylamino)methyl]pyrrolidin-2-one; 1-cyclopentyl-4-[(methylamino)methyl]pyrrolidin-2-one

Database IDs

• MDL Number: MFCD08059817
• PubChem SID: 162238561
• PubChem CID: 44827675

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.938803
• LogD (pH = 7.4): -2.525576
• Log P: 0.29431817
• Molar Refractivity: 56.3014 cm^3
• Polarizability: 22.265976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C11H20N2O

DETAILS

Sigma Aldrich - CBR01093

Analysis Note
may contain up to 0.5 eq carbonate
Other Notes
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Legal Information
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