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(3S,8aS)-3-[(4-hydroxyphenyl)methyl]-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

(3S,8aS)-3-[(4-hydroxyphenyl)methyl]-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

CAS: 4549-02-4

Formula: C14H16N2O3

SMILES: [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC2=O

IUPAC: (3S,8aS)-3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione

InChI: InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12+/m0/s1

Composition: C (64.60%), H (6.20%), N (10.76%), O (18.44%)

Molar Mass: 260.293

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 260.116092383
Formal Charge 0
FSP3 0.43
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey LSGOTAXPWMCUCK-RYUDHWBXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.88
Topological Polar Surface Area 69.64
Polarizability 26.65
Ring Count 3
Rotatable Bond Count 2

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