2,5-dioxopyrrolidin-1-yl 2-{bicyclo[6.1.0]non-4-yn-9-ylmethoxy}acetate

2,5-dioxopyrrolidin-1-yl 2-{bicyclo[6.1.0]non-4-yn-9-ylmethoxy}acetate

CAS: 2665661-06-1

Formula: C16H19NO5

SMILES: O=C(COCC1C2CCC#CCCC12)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 2-({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)acetate

InChI: InChI=1/C16H19NO5/c18-14-7-8-15(19)17(14)22-16(20)10-21-9-13-11-5-3-1-2-4-6-12(11)13/h11-13H,3-10H2

Composition: C (62.94%), H (6.27%), N (4.59%), O (26.20%)

Molar Mass: 305.33

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	305.126322716
Formal Charge	0
FSP3	0.69
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	KMOHYUDVWZERSC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.65
Topological Polar Surface Area	72.91
Polarizability	29.76
Ring Count	3
Rotatable Bond Count	6

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