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

• ChemBase ID: 76987
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: N1(c2c(ccc(c2)N)CC1)C(=O)C1CC1
• Canonical SMILES: Nc1ccc2c(c1)N(CC2)C(=O)C1CC1
• InChI: InChI=1S/C12H14N2O/c13-10-4-3-8-5-6-14(11(8)7-10)12(15)9-1-2-9/h3-4,7,9H,1-2,5-6,13H2
• InChIKey: BDWQDPSPRYTBJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-6-amine
• IUPAC Traditional name: 1-cyclopropanecarbonyl-2,3-dihydroindol-6-amine
• Synonyms: 1-(Cyclopropylcarbonyl)indolin-6-amine; 6-Amino-1-(cyclopropylcarbonyl)indoline; (6-aminoindolin-1-yl)(cyclopropyl)methanone; 1-(cyclopropylcarbonyl)indolin-6-amine

Database IDs

• MDL Number: MFCD09261842
• PubChem SID: 162041886
• PubChem CID: 16642566

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0556204
• LogD (pH = 7.4): 1.0656517
• Log P: 1.065781
• Molar Refractivity: 59.4461 cm^3
• Polarizability: 22.251335 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.016

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%