(3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole

C15H22N2 — CID 71269820

IUPAC(3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
SMILESC[C@H](c1ccccc1)N1CC[C@@H]2CN(C)C[C@@H]21
InChIInChI=1S/C15H22N2/c1-12(13-6-4-3-5-7-13)17-9-8-14-10-16(2)11-15(14)17/h3-7,12,14-15H,8-11H2,1-2H3/t12-,14-,15+/m1/s1
InChIKeyFVPPOVWWWMMCJE-YUELXQCFSA-N
MW230.36 g/mol
LogP2.38
Rot. Bonds2

About (3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole

(3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole (PubChem CID 71269820) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
PubChem CID71269820
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
SMILESC[C@H](c1ccccc1)N1CC[C@@H]2CN(C)C[C@@H]21
InChIInChI=1S/C15H22N2/c1-12(13-6-4-3-5-7-13)17-9-8-14-10-16(2)11-15(14)17/h3-7,12,14-15H,8-11H2,1-2H3/t12-,14-,15+/m1/s1
InChIKeyFVPPOVWWWMMCJE-YUELXQCFSA-N
XLogP2.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
The IUPAC name of (3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole (CID 71269820) is (3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole.
What is the SMILES notation for (3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
The canonical SMILES for (3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole is C[C@H](c1ccccc1)N1CC[C@@H]2CN(C)C[C@@H]21.
What is the InChIKey of (3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
The InChIKey is FVPPOVWWWMMCJE-YUELXQCFSA-N. The full InChI is InChI=1S/C15H22N2/c1-12(13-6-4-3-5-7-13)17-9-8-14-10-16(2)11-15(14)17/h3-7,12,14-15H,8-11H2,1-2H3/t12-,14-,15+/m1/s1.
What are the key properties of (3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole?
(3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole has a molecular weight of 230.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-methyl-1-[(1R)-1-phenylethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 71269820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).