1-(but-3-yn-1-yl)pyrrolidine-2,5-dione

1-(but-3-yn-1-yl)pyrrolidine-2,5-dione

CAS: 38018-27-8

Formula: C8H9NO2

SMILES: O=C1CCC(=O)N1CCC#C

IUPAC: 1-(but-3-yn-1-yl)pyrrolidine-2,5-dione

InChI: InChI=1S/C8H9NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h1H,3-6H2

Composition: C (63.56%), H (6.00%), N (9.27%), O (21.17%)

Molar Mass: 151.165

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	151.063328534
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZVKVRXMDTPYHHX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.51
Topological Polar Surface Area	37.38
Polarizability	14.96
Ring Count	1
Rotatable Bond Count	2

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