3-methoxy-1-methyl-2,3-dihydropyrrole

C6H11NO — CID 123391573

IUPAC3-methoxy-1-methyl-2,3-dihydropyrrole
SMILESCOC1C=CN(C)C1
InChIInChI=1S/C6H11NO/c1-7-4-3-6(5-7)8-2/h3-4,6H,5H2,1-2H3
InChIKeyPHGHULYKDBCVMK-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.46
Rot. Bonds1

About 3-methoxy-1-methyl-2,3-dihydropyrrole

3-methoxy-1-methyl-2,3-dihydropyrrole (PubChem CID 123391573) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-methoxy-1-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name3-methoxy-1-methyl-2,3-dihydropyrrole
PubChem CID123391573
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-methoxy-1-methyl-2,3-dihydropyrrole
SMILESCOC1C=CN(C)C1
InChIInChI=1S/C6H11NO/c1-7-4-3-6(5-7)8-2/h3-4,6H,5H2,1-2H3
InChIKeyPHGHULYKDBCVMK-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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-2,3-dihydropyrrole?
The IUPAC name of 3-methoxy-1-methyl-2,3-dihydropyrrole (CID 123391573) is 3-methoxy-1-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 3-methoxy-1-methyl-2,3-dihydropyrrole?
The canonical SMILES for 3-methoxy-1-methyl-2,3-dihydropyrrole is COC1C=CN(C)C1.
What is the InChIKey of 3-methoxy-1-methyl-2,3-dihydropyrrole?
The InChIKey is PHGHULYKDBCVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-4-3-6(5-7)8-2/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-methoxy-1-methyl-2,3-dihydropyrrole?
3-methoxy-1-methyl-2,3-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 3-methoxy-1-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 123391573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).