2-methoxy-1-methyl-2,5-dihydropyrrole

C6H11NO — CID 123907485

IUPAC2-methoxy-1-methyl-2,5-dihydropyrrole
SMILESCOC1C=CCN1C
InChIInChI=1S/C6H11NO/c1-7-5-3-4-6(7)8-2/h3-4,6H,5H2,1-2H3
InChIKeyDUDWWYVHXGKCMB-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.46
Rot. Bonds1

About 2-methoxy-1-methyl-2,5-dihydropyrrole

2-methoxy-1-methyl-2,5-dihydropyrrole (PubChem CID 123907485) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methoxy-1-methyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name2-methoxy-1-methyl-2,5-dihydropyrrole
PubChem CID123907485
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-methoxy-1-methyl-2,5-dihydropyrrole
SMILESCOC1C=CCN1C
InChIInChI=1S/C6H11NO/c1-7-5-3-4-6(7)8-2/h3-4,6H,5H2,1-2H3
InChIKeyDUDWWYVHXGKCMB-UHFFFAOYSA-N
XLogP0.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-2,5-dihydropyrrole?
The IUPAC name of 2-methoxy-1-methyl-2,5-dihydropyrrole (CID 123907485) is 2-methoxy-1-methyl-2,5-dihydropyrrole.
What is the SMILES notation for 2-methoxy-1-methyl-2,5-dihydropyrrole?
The canonical SMILES for 2-methoxy-1-methyl-2,5-dihydropyrrole is COC1C=CCN1C.
What is the InChIKey of 2-methoxy-1-methyl-2,5-dihydropyrrole?
The InChIKey is DUDWWYVHXGKCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-5-3-4-6(7)8-2/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-methoxy-1-methyl-2,5-dihydropyrrole?
2-methoxy-1-methyl-2,5-dihydropyrrole has a molecular weight of 113.16 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-2,5-dihydropyrrole is sourced from PubChem (CID 123907485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).