2-(methoxymethyl)-2,5-dihydro-1H-pyrrole

C6H11NO — CID 130507449

IUPAC2-(methoxymethyl)-2,5-dihydro-1H-pyrrole
SMILESCOCC1C=CCN1
InChIInChI=1S/C6H11NO/c1-8-5-6-3-2-4-7-6/h2-3,6-7H,4-5H2,1H3
InChIKeyGJZUFYGFERXOQJ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.16
Rot. Bonds2

About 2-(methoxymethyl)-2,5-dihydro-1H-pyrrole

2-(methoxymethyl)-2,5-dihydro-1H-pyrrole (PubChem CID 130507449) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-(methoxymethyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-(methoxymethyl)-2,5-dihydro-1H-pyrrole
PubChem CID130507449
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-(methoxymethyl)-2,5-dihydro-1H-pyrrole
SMILESCOCC1C=CCN1
InChIInChI=1S/C6H11NO/c1-8-5-6-3-2-4-7-6/h2-3,6-7H,4-5H2,1H3
InChIKeyGJZUFYGFERXOQJ-UHFFFAOYSA-N
XLogP0.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
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-(methoxymethyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-(methoxymethyl)-2,5-dihydro-1H-pyrrole (CID 130507449) is 2-(methoxymethyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-(methoxymethyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-(methoxymethyl)-2,5-dihydro-1H-pyrrole is COCC1C=CCN1.
What is the InChIKey of 2-(methoxymethyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is GJZUFYGFERXOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-5-6-3-2-4-7-6/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-(methoxymethyl)-2,5-dihydro-1H-pyrrole?
2-(methoxymethyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 113.16 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 130507449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).