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1-[(3aR,6aS)-hexahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]ethanone hydrochloride

1-[(3aR,6aS)-hexahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]ethanone hydrochloride

CAS: 2126144-11-2

Formula: C8H15ClN2O

SMILES: Cl.[H][C@@]12CNC[C@]1([H])CN(C2)C(C)=O

IUPAC: 1-[(3aR,6aS)-octahydropyrrolo[3,4-c]pyrrol-2-yl]ethan-1-one hydrochloride

InChI: InChI=1S/C8H14N2O.ClH/c1-6(11)10-4-7-2-9-3-8(7)5-10;/h7-9H,2-5H2,1H3;1H/t7-,8+;

Composition: C (50.39%), H (7.93%), Cl (18.59%), N (14.69%), O (8.39%)

Molar Mass: 190.67

Atom Count: 27

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 190.0872908
Formal Charge 0
FSP3 0.87
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MDIPTUCBYZWLLE-KVZVIFLMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.57
Topological Polar Surface Area 32.34
Polarizability 16.75
Ring Count 2
Rotatable Bond Count 0

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