(1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol

C23H36N2O — CID 102272061

IUPAC(1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2C[C@H]3[C@H](c4ccccc4)CN(C)[C@H]3C2)[C@H](O)C1
InChIInChI=1S/C23H36N2O/c1-16-10-11-20(22(26)12-16)23(2,3)25-14-19-18(13-24(4)21(19)15-25)17-8-6-5-7-9-17/h5-9,16,18-22,26H,10-15H2,1-4H3/t16-,18+,19+,20-,21+,22-/m1/s1
InChIKeyUEFPOZQIYYSLQB-GOVIEYFISA-N
MW356.55 g/mol
LogP3.59
Rot. Bonds3

About (1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol

(1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 102272061) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is (1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID102272061
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC Name(1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2C[C@H]3[C@H](c4ccccc4)CN(C)[C@H]3C2)[C@H](O)C1
InChIInChI=1S/C23H36N2O/c1-16-10-11-20(22(26)12-16)23(2,3)25-14-19-18(13-24(4)21(19)15-25)17-8-6-5-7-9-17/h5-9,16,18-22,26H,10-15H2,1-4H3/t16-,18+,19+,20-,21+,22-/m1/s1
InChIKeyUEFPOZQIYYSLQB-GOVIEYFISA-N
XLogP3.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol with MolForge

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Related Compounds

(1R,2S,5R)-2-[2-[(3aR,4R,9aR)-4-phenyl-1,3,3a,4,9,9a-hexahydrobenzo[f]isoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11101515
(1R,2S,5R)-5-methyl-2-[2-[(1S,5R,6S)-1-methyl-6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]cyclohexan-1-ol
CID 10882403
(1R,2S,5R)-2-[2-[(3aS,9aS)-1,3,3a,4,9,9a-hexahydrobenzo[f]isoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10871151
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
(3R,4S)-4-ethenyl-1-[2-[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]propan-2-yl]-3-phenylpyrrolidin-3-ol
CID 11002429
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CID 11991613
(1R,2S,5R)-2-[2-[(1R,8S,11R)-11-(2-methoxyphenyl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl]propan-2-yl]-5-methylcyclohexan-1-ol
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CID 92529738

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol (CID 102272061) is (1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol is C[C@@H]1CC[C@@H](C(C)(C)N2C[C@H]3[C@H](c4ccccc4)CN(C)[C@H]3C2)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is UEFPOZQIYYSLQB-GOVIEYFISA-N. The full InChI is InChI=1S/C23H36N2O/c1-16-10-11-20(22(26)12-16)23(2,3)25-14-19-18(13-24(4)21(19)15-25)17-8-6-5-7-9-17/h5-9,16,18-22,26H,10-15H2,1-4H3/t16-,18+,19+,20-,21+,22-/m1/s1.
What are the key properties of (1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
(1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 356.55 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-[2-[(3R,3aR,6aR)-1-methyl-3-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl]propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 102272061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).