3-azabicyclo[3.1.0]hexane-2,4-dione

3-azabicyclo[3.1.0]hexane-2,4-dione

CAS: 5617-69-6

Formula: C5H5NO2

SMILES: O=C1NC(=O)C2CC12

IUPAC: 3-azabicyclo[3.1.0]hexane-2,4-dione

InChI: InChI=1/C5H5NO2/c7-4-2-1-3(2)5(8)6-4/h2-3H,1H2,(H,6,7,8)

Composition: C (54.05%), H (4.54%), N (12.61%), O (28.80%)

Molar Mass: 111.1

Atom Count: 13

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	111.032028405
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UHQOPDGATRGDDD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	25.03
Topological Polar Surface Area	46.17
Polarizability	9.86
Ring Count	2
Rotatable Bond Count	0

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