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

C13H18N2O — CID 175724614

IUPAC6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol
SMILESOC12CNCC1C(Cc1ccccc1)NC2
InChIInChI=1S/C13H18N2O/c16-13-8-14-7-11(13)12(15-9-13)6-10-4-2-1-3-5-10/h1-5,11-12,14-16H,6-9H2
InChIKeyBHIGMOQOHPXHAR-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.15
Rot. Bonds2

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

6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol (PubChem CID 175724614) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol.

Molecular Properties

Compound Name6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol
PubChem CID175724614
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol
SMILESOC12CNCC1C(Cc1ccccc1)NC2
InChIInChI=1S/C13H18N2O/c16-13-8-14-7-11(13)12(15-9-13)6-10-4-2-1-3-5-10/h1-5,11-12,14-16H,6-9H2
InChIKeyBHIGMOQOHPXHAR-UHFFFAOYSA-N
XLogP0.15
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol?
The IUPAC name of 6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol (CID 175724614) is 6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol.
What is the SMILES notation for 6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol?
The canonical SMILES for 6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol is OC12CNCC1C(Cc1ccccc1)NC2.
What is the InChIKey of 6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol?
The InChIKey is BHIGMOQOHPXHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13-8-14-7-11(13)12(15-9-13)6-10-4-2-1-3-5-10/h1-5,11-12,14-16H,6-9H2.
What are the key properties of 6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol?
6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol has a molecular weight of 218.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol is sourced from PubChem (CID 175724614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).