4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride

C10H22Cl2N2O2 — CID 66618898

IUPAC4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
SMILESCOCC1C2CNCC2CN1COC.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-13-6-10-9-4-11-3-8(9)5-12(10)7-14-2;;/h8-11H,3-7H2,1-2H3;2*1H
InChIKeyMEJDRSRXLSWDMN-UHFFFAOYSA-N
MW273.20 g/mol
LogP0.60
Rot. Bonds4

About 4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride

4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride (PubChem CID 66618898) has the molecular formula C10H22Cl2N2O2 and a molecular weight of 273.20 g/mol. Its IUPAC name is 4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride.

Molecular Properties

Compound Name4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
PubChem CID66618898
Molecular FormulaC10H22Cl2N2O2
Molecular Weight273.20 g/mol
Exact Mass272.11
IUPAC Name4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
SMILESCOCC1C2CNCC2CN1COC.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-13-6-10-9-4-11-3-8(9)5-12(10)7-14-2;;/h8-11H,3-7H2,1-2H3;2*1H
InChIKeyMEJDRSRXLSWDMN-UHFFFAOYSA-N
XLogP0.60
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride?
The IUPAC name of 4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride (CID 66618898) is 4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride.
What is the SMILES notation for 4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride?
The canonical SMILES for 4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride is COCC1C2CNCC2CN1COC.Cl.Cl.
What is the InChIKey of 4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride?
The InChIKey is MEJDRSRXLSWDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.2ClH/c1-13-6-10-9-4-11-3-8(9)5-12(10)7-14-2;;/h8-11H,3-7H2,1-2H3;2*1H.
What are the key properties of 4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride?
4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride has a molecular weight of 273.20 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride is sourced from PubChem (CID 66618898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).