(1R,6R)-6-aminocyclohex-3-ene-1-carboxamide

• ChemBase ID: 310045
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: [C@H]1(C(=O)N)[C@H](N)CC=CC1
• Canonical SMILES: N[C@@H]1CC=CC[C@H]1C(=O)N
• InChI: InChI=1S/C7H12N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-2,5-6H,3-4,8H2,(H2,9,10)/t5-,6-/m1/s1
• InChIKey: JXMUPIBGRUPBHN-PHDIDXHHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,6R)-6-aminocyclohex-3-ene-1-carboxamide
• IUPAC Traditional name: (1R,6R)-6-aminocyclohex-3-ene-1-carboxamide
• Synonyms: rac-(1R,6R)-6-amino-3-cyclohexene-1-carboxamide

Database IDs

• CAS Number: 727411-24-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.58814
• LogD (pH = 7.4): -2.5380416
• Log P: -0.61640066
• Molar Refractivity: 39.9577 cm^3
• Polarizability: 15.3882 Å^3
• Polar Surface Area: 69.11 Å^2