4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole

C11H22N2O — CID 123956461

IUPAC4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole
SMILESCC(C)(C)OCN1CCC2NCCC21
InChIInChI=1S/C11H22N2O/c1-11(2,3)14-8-13-7-5-9-10(13)4-6-12-9/h9-10,12H,4-8H2,1-3H3
InChIKeyLHKXEQBUKIEMCJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.20
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole

4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole (PubChem CID 123956461) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole
PubChem CID123956461
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole
SMILESCC(C)(C)OCN1CCC2NCCC21
InChIInChI=1S/C11H22N2O/c1-11(2,3)14-8-13-7-5-9-10(13)4-6-12-9/h9-10,12H,4-8H2,1-3H3
InChIKeyLHKXEQBUKIEMCJ-UHFFFAOYSA-N
XLogP1.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole (CID 123956461) is 4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole is CC(C)(C)OCN1CCC2NCCC21.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole?
The InChIKey is LHKXEQBUKIEMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)14-8-13-7-5-9-10(13)4-6-12-9/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole?
4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole has a molecular weight of 198.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxymethyl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 123956461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).