1-(but-3-yn-1-yl)-5-ethoxypyrrolidin-2-one

1-(but-3-yn-1-yl)-5-ethoxypyrrolidin-2-one

CAS: 58804-96-9

Formula: C10H15NO2

SMILES: CCOC1CCC(=O)N1CCC#C

IUPAC: 1-(but-3-yn-1-yl)-5-ethoxypyrrolidin-2-one

InChI: InChI=1/C10H15NO2/c1-3-5-8-11-9(12)6-7-10(11)13-4-2/h1,10H,4-8H2,2H3

Composition: C (66.27%), H (8.34%), N (7.73%), O (17.66%)

Molar Mass: 181.235

Atom Count: 28

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	181.110278727
Formal Charge	0
FSP3	0.7
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PUBLKLCSORWLFB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.13
Topological Polar Surface Area	29.54
Polarizability	19.23
Ring Count	1
Rotatable Bond Count	4

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