(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride

C6H12Cl2N2O — CID 167724160

IUPAC(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride
SMILESCl.Cl.O=C1C[C@@H]2CNC[C@@H]2N1
InChIInChI=1S/C6H10N2O.2ClH/c9-6-1-4-2-7-3-5(4)8-6;;/h4-5,7H,1-3H2,(H,8,9);2*1H/t4-,5+;;/m1../s1
InChIKeyDROICGFRNLABFP-CIFXRNLBSA-N
MW199.08 g/mol
LogP-0.06
Rot. Bonds

About (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride

(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride (PubChem CID 167724160) has the molecular formula C6H12Cl2N2O and a molecular weight of 199.08 g/mol. Its IUPAC name is (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride.

Molecular Properties

Compound Name(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride
PubChem CID167724160
Molecular FormulaC6H12Cl2N2O
Molecular Weight199.08 g/mol
Exact Mass198.03
IUPAC Name(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride
SMILESCl.Cl.O=C1C[C@@H]2CNC[C@@H]2N1
InChIInChI=1S/C6H10N2O.2ClH/c9-6-1-4-2-7-3-5(4)8-6;;/h4-5,7H,1-3H2,(H,8,9);2*1H/t4-,5+;;/m1../s1
InChIKeyDROICGFRNLABFP-CIFXRNLBSA-N
XLogP-0.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride?
The IUPAC name of (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride (CID 167724160) is (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride.
What is the SMILES notation for (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride?
The canonical SMILES for (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride is Cl.Cl.O=C1C[C@@H]2CNC[C@@H]2N1.
What is the InChIKey of (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride?
The InChIKey is DROICGFRNLABFP-CIFXRNLBSA-N. The full InChI is InChI=1S/C6H10N2O.2ClH/c9-6-1-4-2-7-3-5(4)8-6;;/h4-5,7H,1-3H2,(H,8,9);2*1H/t4-,5+;;/m1../s1.
What are the key properties of (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride?
(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride has a molecular weight of 199.08 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one;dihydrochloride is sourced from PubChem (CID 167724160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).