CAS 22607-75-6 | 4-Azatricyclo[4.3.1.13,8]undecan-5-one | CAS Number 22607-75-6

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22607-75-6 | 4-Azatricyclo[4.3.1.13,8]undecan-5-one

CAS No: 22607-75-6 Catalog No: AG003KSB MDL No:MFCD00154765

Product Description

Catalog Number:

AG003KSB

Chemical Name:

4-Azatricyclo[4.3.1.13,8]undecan-5-one

CAS Number:

22607-75-6

Molecular Formula:

C10H15NO

Molecular Weight:

165.2322

MDL Number:

MFCD00154765

IUPAC Name:

4-azatricyclo[4.3.1.13,8]undecan-5-one

InChI:

InChI=1S/C10H15NO/c12-10-8-2-6-1-7(3-8)5-9(4-6)11-10/h6-9H,1-5H2,(H,11,12)

InChI Key:

OKDJIRNQPPBDKJ-UHFFFAOYSA-N

SMILES:

O=C1NC2CC3CC1CC(C2)C3

NSC Number:

145164

Properties

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.236g/mol

Monoisotopic Mass:

165.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
How to overcome resistance of influenza A viruses against adamantane derivatives.	Antiviral research 19980201