3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

C8H16N2O — CID 166797010

IUPAC3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCOC12CCNC1CN(C)C2
InChIInChI=1S/C8H16N2O/c1-10-5-7-8(6-10,11-2)3-4-9-7/h7,9H,3-6H2,1-2H3
InChIKeyJQAALXMEYJDMBC-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.32
Rot. Bonds1

About 3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 166797010) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID166797010
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCOC12CCNC1CN(C)C2
InChIInChI=1S/C8H16N2O/c1-10-5-7-8(6-10,11-2)3-4-9-7/h7,9H,3-6H2,1-2H3
InChIKeyJQAALXMEYJDMBC-UHFFFAOYSA-N
XLogP-0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64850632
CID 70661848
CID 70661848
CID 70661862
CID 70661862
CID 77053377
CID 77053377
CID 77053461
CID 77053461
CID 123956461
CID 123956461
CID 135346660
CID 135346660
CID 137488667
CID 137488667
CID 142528501
CID 142528501
CID 152934805
CID 152934805

Frequently Asked Questions

What is the IUPAC name of 3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 166797010) is 3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is COC12CCNC1CN(C)C2.
What is the InChIKey of 3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is JQAALXMEYJDMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-5-7-8(6-10,11-2)3-4-9-7/h7,9H,3-6H2,1-2H3.
What are the key properties of 3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 156.23 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methoxy-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 166797010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).