(3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol

C10H20N2O2 — CID 164680698

IUPAC(3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol
SMILESCN1C[C@]2(C)C(O)N(C)C[C@]2(C)C1O
InChIInChI=1S/C10H20N2O2/c1-9-5-11(3)8(14)10(9,2)6-12(4)7(9)13/h7-8,13-14H,5-6H2,1-4H3/t7?,8?,9-,10-/m1/s1
InChIKeyDWIRHMLJKKKXOR-YDYPAMBWSA-N
MW200.28 g/mol
LogP-0.47
Rot. Bonds

About (3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol

(3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol (PubChem CID 164680698) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol.

Molecular Properties

Compound Name(3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol
PubChem CID164680698
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol
SMILESCN1C[C@]2(C)C(O)N(C)C[C@]2(C)C1O
InChIInChI=1S/C10H20N2O2/c1-9-5-11(3)8(14)10(9,2)6-12(4)7(9)13/h7-8,13-14H,5-6H2,1-4H3/t7?,8?,9-,10-/m1/s1
InChIKeyDWIRHMLJKKKXOR-YDYPAMBWSA-N
XLogP-0.47
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3a,6a-Bis(methoxymethyl)-5-methyl-2,5-bis(sulfanyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-ium
CID 91330720
3-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol
CID 118534988
3-(2,3a,6a-Trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane
CID 142385991
3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol;ethane
CID 142409451
Ethane;3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol
CID 144962724
[4-(Hydroxymethyl)-1,3,4-trimethylpyrrolidin-3-yl]methanol;rhenium;rutherfordium;1,3,3-trimethylpyrrolidin-4-ide
CID 161535498
Ethane;methane;[1-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]cyclopropyl]methanol
CID 178038334
Ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol;1-methylpyrrolidine
CID 178098213
[(3aS,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 129321744
[(3aS,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 129321863
[(3aR,6aS)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 129415852
[(3aR,6aR)-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 129415857

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol?
The IUPAC name of (3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol (CID 164680698) is (3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol.
What is the SMILES notation for (3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol?
The canonical SMILES for (3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol is CN1C[C@]2(C)C(O)N(C)C[C@]2(C)C1O.
What is the InChIKey of (3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol?
The InChIKey is DWIRHMLJKKKXOR-YDYPAMBWSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9-5-11(3)8(14)10(9,2)6-12(4)7(9)13/h7-8,13-14H,5-6H2,1-4H3/t7?,8?,9-,10-/m1/s1.
What are the key properties of (3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol?
(3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol has a molecular weight of 200.28 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol is sourced from PubChem (CID 164680698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).