octahydrocyclopenta[b]morpholine

• ChemBase ID: 264242
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: N1C2C(OCC1)CCC2
• Canonical SMILES: C1COC2C(N1)CCC2
• InChI: InChI=1S/C7H13NO/c1-2-6-7(3-1)9-5-4-8-6/h6-8H,1-5H2
• InChIKey: FVHPPCBSLJVBQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydrocyclopenta[b]morpholine
• IUPAC Traditional name: octahydrocyclopenta[b]morpholine
• Synonyms: octahydrocyclopenta[b]morpholine

Database IDs

• MDL Number: MFCD10032393
• PubChem SID: 164320152
• PubChem CID: 43244748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.382603
• LogD (pH = 7.4): -0.7971703
• Log P: 0.55852133
• Molar Refractivity: 35.2503 cm^3
• Polarizability: 14.382755 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.465

Product Information

• Purity: 95%