1-cyclopentanecarbonyl-2,3-dihydro-1H-indol-6-amine

• ChemBase ID: 118413
• Molecular Formular: C14H18N2O
• Molecular Mass: 230.30552
• Monoisotopic Mass: 230.14191321
• SMILES: N1(C(=O)C2CCCC2)c2cc(N)ccc2CC1
• Canonical SMILES: O=C(N1CCc2c1cc(N)cc2)C1CCCC1
• InChI: InChI=1S/C14H18N2O/c15-12-6-5-10-7-8-16(13(10)9-12)14(17)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,15H2
• InChIKey: JYAZWZSSQVPWDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonyl-2,3-dihydro-1H-indol-6-amine
• IUPAC Traditional name: 1-cyclopentanecarbonyl-2,3-dihydroindol-6-amine
• Synonyms: 1-(cyclopentylcarbonyl)indolin-6-amine

Database IDs

• MDL Number: MFCD11137570
• PubChem SID: 162098501
• PubChem CID: 28418676

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9438351
• LogD (pH = 7.4): 1.954777
• Log P: 1.9549184
• Molar Refractivity: 68.6481 cm^3
• Polarizability: 25.935564 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.9

Product Information

• Purity: 95+%