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

C13H17ClN2 — CID 67341395

IUPAC5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
SMILESC1=C2CN(Cc3ccccc3)CC2CN1.Cl
InChIInChI=1S/C13H16N2.ClH/c1-2-4-11(5-3-1)8-15-9-12-6-14-7-13(12)10-15;/h1-6,13-14H,7-10H2;1H
InChIKeyIVMBPJNPMXXDJG-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.03
Rot. Bonds2

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

5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride (PubChem CID 67341395) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride.

Molecular Properties

Compound Name5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
PubChem CID67341395
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
SMILESC1=C2CN(Cc3ccccc3)CC2CN1.Cl
InChIInChI=1S/C13H16N2.ClH/c1-2-4-11(5-3-1)8-15-9-12-6-14-7-13(12)10-15;/h1-6,13-14H,7-10H2;1H
InChIKeyIVMBPJNPMXXDJG-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
CID 69032798
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CID 70581599
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one
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CID 67702530
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CID 160557029
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride?
The IUPAC name of 5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride (CID 67341395) is 5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride.
What is the SMILES notation for 5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride?
The canonical SMILES for 5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride is C1=C2CN(Cc3ccccc3)CC2CN1.Cl.
What is the InChIKey of 5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride?
The InChIKey is IVMBPJNPMXXDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.ClH/c1-2-4-11(5-3-1)8-15-9-12-6-14-7-13(12)10-15;/h1-6,13-14H,7-10H2;1H.
What are the key properties of 5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride?
5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride has a molecular weight of 236.75 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride is sourced from PubChem (CID 67341395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).