(3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C19H28N2 — CID 129498535

IUPAC(3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1C[C@@H]2CN(Cc3ccccc3)[C@H](C3CCCC3)[C@@H]2C1
InChIInChI=1S/C19H28N2/c1-20-12-17-13-21(11-15-7-3-2-4-8-15)19(18(17)14-20)16-9-5-6-10-16/h2-4,7-8,16-19H,5-6,9-14H2,1H3/t17-,18-,19-/m1/s1
InChIKeyLPZLQOCSUCFYQY-GUDVDZBRSA-N
MW284.45 g/mol
LogP3.24
Rot. Bonds3

About (3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

(3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 129498535) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID129498535
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name(3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1C[C@@H]2CN(Cc3ccccc3)[C@H](C3CCCC3)[C@@H]2C1
InChIInChI=1S/C19H28N2/c1-20-12-17-13-21(11-15-7-3-2-4-8-15)19(18(17)14-20)16-9-5-6-10-16/h2-4,7-8,16-19H,5-6,9-14H2,1H3/t17-,18-,19-/m1/s1
InChIKeyLPZLQOCSUCFYQY-GUDVDZBRSA-N
XLogP3.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

(3aR,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 129498531
5-benzyl-4-(4-methoxyphenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121205281
(1S,2S,5R)-3-benzyl-2-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonane
CID 102245036
2-benzyl-7-methyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 58099616
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850
(7aS)-2-methyl-4-phenyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 67618847
1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
5-[(1-benzylpiperidin-4-yl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 134077355
(2R,3S,6R)-5-benzyl-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56865189
2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 42614357
(1R,4S,7S)-2-benzyl-7-chloro-2-azabicyclo[2.2.1]heptane
CID 129449904
1-benzyl-2,5-dicyclohexylpiperazine
CID 64861335

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 129498535) is (3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1C[C@@H]2CN(Cc3ccccc3)[C@H](C3CCCC3)[C@@H]2C1.
What is the InChIKey of (3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is LPZLQOCSUCFYQY-GUDVDZBRSA-N. The full InChI is InChI=1S/C19H28N2/c1-20-12-17-13-21(11-15-7-3-2-4-8-15)19(18(17)14-20)16-9-5-6-10-16/h2-4,7-8,16-19H,5-6,9-14H2,1H3/t17-,18-,19-/m1/s1.
What are the key properties of (3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
(3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 284.45 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aR)-5-benzyl-4-cyclopentyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 129498535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).