(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

C13H18N2 — CID 155248085

IUPAC(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESc1ccc(CN2CCC3CNC[C@H]32)cc1
InChIInChI=1S/C13H18N2/c1-2-4-11(5-3-1)10-15-7-6-12-8-14-9-13(12)15/h1-5,12-14H,6-10H2/t12?,13-/m1/s1
InChIKeyLODPYENASSOOBD-ZGTCLIOFSA-N
MW202.30 g/mol
LogP1.48
Rot. Bonds2

About (6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole

(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 155248085) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID155248085
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESc1ccc(CN2CCC3CNC[C@H]32)cc1
InChIInChI=1S/C13H18N2/c1-2-4-11(5-3-1)10-15-7-6-12-8-14-9-13(12)15/h1-5,12-14H,6-10H2/t12?,13-/m1/s1
InChIKeyLODPYENASSOOBD-ZGTCLIOFSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole with MolForge

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Related Compounds

6-benzyl-3,6-diazabicyclo[3.2.0]heptane
CID 83669976
1-benzyl-2-piperidin-3-ylpiperidine
CID 82380311
1-[(4-ethylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677875
(3aR,9aR)-1-benzyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indole
CID 54235385
1-[4-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]methyl]phenyl]pyrrolidin-2-one;dihydrochloride
CID 154904579
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
(3aS,6aS)-1-[(3-chlorothiophen-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;dihydrochloride
CID 154905300
1-[(4-pyrazol-1-ylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681260
1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 156608413
1-(furan-3-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677830
1-[(4-ethoxyphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678074
(3aR,7aR)-1,5-dibenzyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 18717968

Frequently Asked Questions

What is the IUPAC name of (6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of (6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (CID 155248085) is (6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for (6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for (6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is c1ccc(CN2CCC3CNC[C@H]32)cc1.
What is the InChIKey of (6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is LODPYENASSOOBD-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-4-11(5-3-1)10-15-7-6-12-8-14-9-13(12)15/h1-5,12-14H,6-10H2/t12?,13-/m1/s1.
What are the key properties of (6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 202.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 155248085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).