4-(aminomethyl)-1-cyclopentylpyrrolidin-2-one

• ChemBase ID: 144348
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: C1CCC(C1)N1CC(CC1=O)CN
• Canonical SMILES: NCC1CC(=O)N(C1)C1CCCC1
• InChI: InChI=1S/C10H18N2O/c11-6-8-5-10(13)12(7-8)9-3-1-2-4-9/h8-9H,1-7,11H2
• InChIKey: ZOLCWNZDFIUXHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-1-cyclopentylpyrrolidin-2-one
• IUPAC Traditional name: 4-(aminomethyl)-1-cyclopentylpyrrolidin-2-one
• Synonyms: 4-(Aminomethyl)-1-cyclopentylpyrrolidin-2-one; 4-(aminomethyl)-1-cyclopentylpyrrolidin-2-one

Database IDs

• CAS Number: 893750-56-6
• MDL Number: MFCD06804421
• PubChem SID: 162238563
• PubChem CID: 44827674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.14678
• LogD (pH = 7.4): -2.4224453
• Log P: -0.13826223
• Molar Refractivity: 51.5268 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H18N2O

DETAILS

Sigma Aldrich - CBR01092

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