5-oxopyrrolidine-3-carbonitrile

5-oxopyrrolidine-3-carbonitrile

CAS: 824966-97-4

Formula: C5H6N2O

SMILES: O=C1CC(CN1)C#N

IUPAC: 5-oxopyrrolidine-3-carbonitrile

InChI: InChI=1/C5H6N2O/c6-2-4-1-5(8)7-3-4/h4H,1,3H2,(H,7,8)

Composition: C (54.54%), H (5.49%), N (25.44%), O (14.53%)

Molar Mass: 110.116

Atom Count: 14

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	110.048012821
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PGGZFAMYBLCHOZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	27.32
Topological Polar Surface Area	52.89
Polarizability	10.32
Ring Count	1
Rotatable Bond Count	0

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