5-(methoxymethyl)-2H-pyrrole

C6H9NO — CID 58270144

IUPAC5-(methoxymethyl)-2H-pyrrole
SMILESCOCC1=NCC=C1
InChIInChI=1S/C6H9NO/c1-8-5-6-3-2-4-7-6/h2-3H,4-5H2,1H3
InChIKeyXTEWVNSTRAWMCU-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.64
Rot. Bonds2

About 5-(methoxymethyl)-2H-pyrrole

5-(methoxymethyl)-2H-pyrrole (PubChem CID 58270144) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 5-(methoxymethyl)-2H-pyrrole.

Molecular Properties

Compound Name5-(methoxymethyl)-2H-pyrrole
PubChem CID58270144
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name5-(methoxymethyl)-2H-pyrrole
SMILESCOCC1=NCC=C1
InChIInChI=1S/C6H9NO/c1-8-5-6-3-2-4-7-6/h2-3H,4-5H2,1H3
InChIKeyXTEWVNSTRAWMCU-UHFFFAOYSA-N
XLogP0.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2H-pyrrole?
The IUPAC name of 5-(methoxymethyl)-2H-pyrrole (CID 58270144) is 5-(methoxymethyl)-2H-pyrrole.
What is the SMILES notation for 5-(methoxymethyl)-2H-pyrrole?
The canonical SMILES for 5-(methoxymethyl)-2H-pyrrole is COCC1=NCC=C1.
What is the InChIKey of 5-(methoxymethyl)-2H-pyrrole?
The InChIKey is XTEWVNSTRAWMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-8-5-6-3-2-4-7-6/h2-3H,4-5H2,1H3.
What are the key properties of 5-(methoxymethyl)-2H-pyrrole?
5-(methoxymethyl)-2H-pyrrole has a molecular weight of 111.14 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2H-pyrrole is sourced from PubChem (CID 58270144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).