3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one

C11H20N2O2 — CID 66211098

IUPAC3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one
SMILESCOCCC(=O)N1CC2CNCC2C1C
InChIInChI=1S/C11H20N2O2/c1-8-10-6-12-5-9(10)7-13(8)11(14)3-4-15-2/h8-10,12H,3-7H2,1-2H3
InChIKeyVGHYYGSSGROPJZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.09
Rot. Bonds3

About 3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one

3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one (PubChem CID 66211098) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one
PubChem CID66211098
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one
SMILESCOCCC(=O)N1CC2CNCC2C1C
InChIInChI=1S/C11H20N2O2/c1-8-10-6-12-5-9(10)7-13(8)11(14)3-4-15-2/h8-10,12H,3-7H2,1-2H3
InChIKeyVGHYYGSSGROPJZ-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one?
The IUPAC name of 3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one (CID 66211098) is 3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one is COCCC(=O)N1CC2CNCC2C1C.
What is the InChIKey of 3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one?
The InChIKey is VGHYYGSSGROPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-10-6-12-5-9(10)7-13(8)11(14)3-4-15-2/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one?
3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one is sourced from PubChem (CID 66211098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).