CAS 78477-91-5 | 8-Azabicyclo[3.2.1]octan-2-one, 8-methyl- | CAS Number 78477-91-5

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78477-91-5 | 8-Azabicyclo[3.2.1]octan-2-one, 8-methyl-

CAS No: 78477-91-5 Catalog No: AG00ICY5 MDL No:MFCD22415325

Product Description

Catalog Number:

AG00ICY5

Chemical Name:

8-Azabicyclo[3.2.1]octan-2-one, 8-methyl-

CAS Number:

78477-91-5

Molecular Formula:

C8H13NO

Molecular Weight:

139.1949

MDL Number:

MFCD22415325

IUPAC Name:

8-methyl-8-azabicyclo[3.2.1]octan-2-one

InChI:

InChI=1S/C8H13NO/c1-9-6-2-4-7(9)8(10)5-3-6/h6-7H,2-5H2,1H3

InChI Key:

VIZAOHGVLPCBMA-UHFFFAOYSA-N

SMILES:

O=C1CCC2N(C1CC2)C

NSC Number:

359396

Properties

Complexity:

167

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

139.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

139.198g/mol

Monoisotopic Mass:

139.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Novel enantiopure ferrugininoids active as nicotinic agents: synthesis and radioligand binding studies.	Die Pharmazie 20040601
Synthesis and evaluation of diazine containing bioisosteres of (-)-ferruginine as ligands for nicotinic acetylcholine receptors.	Bioorganic & medicinal chemistry 20011001