1-(methoxymethyl)pyrrole

C6H9NO — CID 12632246

IUPAC1-(methoxymethyl)pyrrole
SMILESCOCn1cccc1
InChIInChI=1S/C6H9NO/c1-8-6-7-4-2-3-5-7/h2-5H,6H2,1H3
InChIKeyRVJUXEZIBUCRHP-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.09
Rot. Bonds2

About 1-(methoxymethyl)pyrrole

1-(methoxymethyl)pyrrole (PubChem CID 12632246) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-(methoxymethyl)pyrrole.

Molecular Properties

Compound Name1-(methoxymethyl)pyrrole
PubChem CID12632246
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-(methoxymethyl)pyrrole
SMILESCOCn1cccc1
InChIInChI=1S/C6H9NO/c1-8-6-7-4-2-3-5-7/h2-5H,6H2,1H3
InChIKeyRVJUXEZIBUCRHP-UHFFFAOYSA-N
XLogP1.09
TPSA14.16 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 ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)pyrrole?
The IUPAC name of 1-(methoxymethyl)pyrrole (CID 12632246) is 1-(methoxymethyl)pyrrole.
What is the SMILES notation for 1-(methoxymethyl)pyrrole?
The canonical SMILES for 1-(methoxymethyl)pyrrole is COCn1cccc1.
What is the InChIKey of 1-(methoxymethyl)pyrrole?
The InChIKey is RVJUXEZIBUCRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-8-6-7-4-2-3-5-7/h2-5H,6H2,1H3.
What are the key properties of 1-(methoxymethyl)pyrrole?
1-(methoxymethyl)pyrrole has a molecular weight of 111.14 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)pyrrole is sourced from PubChem (CID 12632246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).