1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol

C12H24N2O — CID 114447651

IUPAC1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CC2CNCC2C1
InChIInChI=1S/C12H24N2O/c1-9(2)12(3,15)8-14-6-10-4-13-5-11(10)7-14/h9-11,13,15H,4-8H2,1-3H3
InChIKeyUYFLDSHYQBXBDO-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.54
Rot. Bonds3

About 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol

1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol (PubChem CID 114447651) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol
PubChem CID114447651
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CC2CNCC2C1
InChIInChI=1S/C12H24N2O/c1-9(2)12(3,15)8-14-6-10-4-13-5-11(10)7-14/h9-11,13,15H,4-8H2,1-3H3
InChIKeyUYFLDSHYQBXBDO-UHFFFAOYSA-N
XLogP0.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 58474347
1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114496462
1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol
CID 114496659
1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
CID 114449091
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447436
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol
CID 63631367
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine
CID 130831685
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane
CID 169000293
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol
CID 163564441

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol (CID 114447651) is 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CN1CC2CNCC2C1.
What is the InChIKey of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol?
The InChIKey is UYFLDSHYQBXBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)12(3,15)8-14-6-10-4-13-5-11(10)7-14/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol?
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol has a molecular weight of 212.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114447651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).