2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol

C11H22N2O2 — CID 163564441

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N1CC2CNCC2C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-8-4-12-5-9(8)7-13/h8-10,12,14H,4-7H2,1-3H3
InChIKeyFTZNPLNVDKOIHJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.23
Rot. Bonds2

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 163564441) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID163564441
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N1CC2CNCC2C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-8-4-12-5-9(8)7-13/h8-10,12,14H,4-7H2,1-3H3
InChIKeyFTZNPLNVDKOIHJ-UHFFFAOYSA-N
XLogP0.23
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol (CID 163564441) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol is CC(C)(C)OC(O)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is FTZNPLNVDKOIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-8-4-12-5-9(8)7-13/h8-10,12,14H,4-7H2,1-3H3.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 214.31 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 163564441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).