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Home > Other Heterocycles > 74331-49-0
74331-49-0 | 1-Azabicyclo[3.3.1]nonan-2-one
CAS No: 74331-49-0 Catalog No: AG005Y58 MDL No:MFCD24506531
Product Description
Catalog Number:
AG005Y58
Chemical Name:
1-Azabicyclo[3.3.1]nonan-2-one
CAS Number:
74331-49-0
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD24506531
IUPAC Name:
1-azabicyclo[3.3.1]nonan-2-one
InChI:
InChI=1S/C8H13NO/c10-8-4-3-7-2-1-5-9(8)6-7/h7H,1-6H2
InChI Key:
LQWWDNCXHUPJLQ-UHFFFAOYSA-N
SMILES:
O=C1CCC2CN1CCC2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| 1-Azabicyclo[3.3.1]nonan-2-one: nitrogen versus oxygen protonation. | The Journal of organic chemistry 20110415 |
| 3-(7,8,13,14-Tetra-hydrodi-benzo-[a,i]phen-an-thridin-5-yl)benzene-1,2-diol. | Acta crystallographica. Section E, Structure reports online 20100701 |
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