2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride

C6H14Cl2N2O — CID 170913208

IUPAC2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride
SMILESCl.Cl.OC12CNCC1CNC2
InChIInChI=1S/C6H12N2O.2ClH/c9-6-3-7-1-5(6)2-8-4-6;;/h5,7-9H,1-4H2;2*1H
InChIKeyXKPMHWQOJNPWNP-UHFFFAOYSA-N
MW201.10 g/mol
LogP-0.62
Rot. Bonds

About 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride

2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride (PubChem CID 170913208) has the molecular formula C6H14Cl2N2O and a molecular weight of 201.10 g/mol. Its IUPAC name is 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride.

Molecular Properties

Compound Name2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride
PubChem CID170913208
Molecular FormulaC6H14Cl2N2O
Molecular Weight201.10 g/mol
Exact Mass200.05
IUPAC Name2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride
SMILESCl.Cl.OC12CNCC1CNC2
InChIInChI=1S/C6H12N2O.2ClH/c9-6-3-7-1-5(6)2-8-4-6;;/h5,7-9H,1-4H2;2*1H
InChIKeyXKPMHWQOJNPWNP-UHFFFAOYSA-N
XLogP-0.62
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride?
The IUPAC name of 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride (CID 170913208) is 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride.
What is the SMILES notation for 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride?
The canonical SMILES for 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride is Cl.Cl.OC12CNCC1CNC2.
What is the InChIKey of 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride?
The InChIKey is XKPMHWQOJNPWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.2ClH/c9-6-3-7-1-5(6)2-8-4-6;;/h5,7-9H,1-4H2;2*1H.
What are the key properties of 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride?
2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride has a molecular weight of 201.10 g/mol, XLogP of -0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride is sourced from PubChem (CID 170913208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).