3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride

C9H20Cl2N2 — CID 126796964

IUPAC3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
SMILESCN1CC2(C)CNCC2(C)C1.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-8-4-10-5-9(8,2)7-11(3)6-8;;/h10H,4-7H2,1-3H3;2*1H
InChIKeyQVHQEEWQJFQXKG-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.39
Rot. Bonds

About 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride

3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride (PubChem CID 126796964) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride.

Molecular Properties

Compound Name3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
PubChem CID126796964
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Name3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
SMILESCN1CC2(C)CNCC2(C)C1.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-8-4-10-5-9(8,2)7-11(3)6-8;;/h10H,4-7H2,1-3H3;2*1H
InChIKeyQVHQEEWQJFQXKG-UHFFFAOYSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride?
The IUPAC name of 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride (CID 126796964) is 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride.
What is the SMILES notation for 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride?
The canonical SMILES for 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride is CN1CC2(C)CNCC2(C)C1.Cl.Cl.
What is the InChIKey of 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride?
The InChIKey is QVHQEEWQJFQXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c1-8-4-10-5-9(8,2)7-11(3)6-8;;/h10H,4-7H2,1-3H3;2*1H.
What are the key properties of 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride?
3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride is sourced from PubChem (CID 126796964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).