benzyl (3R,4S)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylate

benzyl (3R,4S)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylate

CAS: 1261241-82-0

Formula: C14H17NO3

SMILES: O[C@@H]1CN(C[C@H]1C=C)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (3R,4S)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylate

InChI: InChI=1S/C14H17NO3/c1-2-12-8-15(9-13(12)16)14(17)18-10-11-6-4-3-5-7-11/h2-7,12-13,16H,1,8-10H2/t12-,13+/m1/s1

Composition: C (68.00%), H (6.93%), N (5.66%), O (19.41%)

Molar Mass: 247.294

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	247.120843411
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SURBGBXZQCEZPR-CHWSQXEVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.42
Topological Polar Surface Area	49.77
Polarizability	26.61
Ring Count	2
Rotatable Bond Count	4

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