5-(methoxymethyl)-4-methyl-2H-pyrrole

C7H11NO — CID 157205587

IUPAC5-(methoxymethyl)-4-methyl-2H-pyrrole
SMILESCOCC1=NCC=C1C
InChIInChI=1S/C7H11NO/c1-6-3-4-8-7(6)5-9-2/h3H,4-5H2,1-2H3
InChIKeyHURJJZBYHALLPQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.03
Rot. Bonds2

About 5-(methoxymethyl)-4-methyl-2H-pyrrole

5-(methoxymethyl)-4-methyl-2H-pyrrole (PubChem CID 157205587) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-(methoxymethyl)-4-methyl-2H-pyrrole.

Molecular Properties

Compound Name5-(methoxymethyl)-4-methyl-2H-pyrrole
PubChem CID157205587
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-(methoxymethyl)-4-methyl-2H-pyrrole
SMILESCOCC1=NCC=C1C
InChIInChI=1S/C7H11NO/c1-6-3-4-8-7(6)5-9-2/h3H,4-5H2,1-2H3
InChIKeyHURJJZBYHALLPQ-UHFFFAOYSA-N
XLogP1.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-4-methyl-2H-pyrrole?
The IUPAC name of 5-(methoxymethyl)-4-methyl-2H-pyrrole (CID 157205587) is 5-(methoxymethyl)-4-methyl-2H-pyrrole.
What is the SMILES notation for 5-(methoxymethyl)-4-methyl-2H-pyrrole?
The canonical SMILES for 5-(methoxymethyl)-4-methyl-2H-pyrrole is COCC1=NCC=C1C.
What is the InChIKey of 5-(methoxymethyl)-4-methyl-2H-pyrrole?
The InChIKey is HURJJZBYHALLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-3-4-8-7(6)5-9-2/h3H,4-5H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-4-methyl-2H-pyrrole?
5-(methoxymethyl)-4-methyl-2H-pyrrole has a molecular weight of 125.17 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-4-methyl-2H-pyrrole is sourced from PubChem (CID 157205587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).