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3-azatricyclo[4.2.1.0²,?]nonan-4-one

3-azatricyclo[4.2.1.0²,?]nonan-4-one

CAS: 7486-95-5

Formula: C8H11NO

SMILES: O=C1NC2C1C1CCC2C1

IUPAC: 3-azatricyclo[4.2.1.0²,?]nonan-4-one

InChI: InChI=1/C8H11NO/c10-8-6-4-1-2-5(3-4)7(6)9-8/h4-7H,1-3H2,(H,9,10)

Composition: C (70.04%), H (8.08%), N (10.21%), O (11.66%)

Molar Mass: 137.182

Atom Count: 21

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 137.084063978
Formal Charge 0
FSP3 0.87
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey NPAUQPZSOILENA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.44
Topological Polar Surface Area 29.1
Polarizability 14.5
Ring Count 3
Rotatable Bond Count 0

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