1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-5-amine

• ChemBase ID: 31809
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: N1(C(=O)C2CC2)c2c(CC1)cc(cc2)N
• Canonical SMILES: Nc1ccc2c(c1)CCN2C(=O)C1CC1
• InChI: InChI=1S/C12H14N2O/c13-10-3-4-11-9(7-10)5-6-14(11)12(15)8-1-2-8/h3-4,7-8H,1-2,5-6,13H2
• InChIKey: RRYDFTDAOXGPBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-2,3-dihydro-1H-indol-5-amine
• IUPAC Traditional name: 1-cyclopropanecarbonyl-2,3-dihydroindol-5-amine
• Synonyms: (5-Amino-2,3-dihydro-indol-1-yl)-cyclopropyl-methanone; (5-aminoindolin-1-yl)(cyclopropyl)methanone; 1-(Cyclopropylcarbonyl)indolin-5-amine; 5-Amino-1-(cyclopropylcarbonyl)indoline

Database IDs

• MDL Number: MFCD09261828
• PubChem SID: 160995116
• PubChem CID: 16642553

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0562047
• LogD (pH = 7.4): 1.0656592
• Log P: 1.065781
• Molar Refractivity: 59.4461 cm^3
• Polarizability: 22.250246 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false