2-methoxy-2,5-dihydro-1H-pyrrole

C5H9NO — CID 58975955

IUPAC2-methoxy-2,5-dihydro-1H-pyrrole
SMILESCOC1C=CCN1
InChIInChI=1S/C5H9NO/c1-7-5-3-2-4-6-5/h2-3,5-6H,4H2,1H3
InChIKeyAOYAPEAGMALAKJ-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.12
Rot. Bonds1

About 2-methoxy-2,5-dihydro-1H-pyrrole

2-methoxy-2,5-dihydro-1H-pyrrole (PubChem CID 58975955) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-methoxy-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-methoxy-2,5-dihydro-1H-pyrrole
PubChem CID58975955
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-methoxy-2,5-dihydro-1H-pyrrole
SMILESCOC1C=CCN1
InChIInChI=1S/C5H9NO/c1-7-5-3-2-4-6-5/h2-3,5-6H,4H2,1H3
InChIKeyAOYAPEAGMALAKJ-UHFFFAOYSA-N
XLogP0.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.12
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-methoxy-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-methoxy-2,5-dihydro-1H-pyrrole (CID 58975955) is 2-methoxy-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-methoxy-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-methoxy-2,5-dihydro-1H-pyrrole is COC1C=CCN1.
What is the InChIKey of 2-methoxy-2,5-dihydro-1H-pyrrole?
The InChIKey is AOYAPEAGMALAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-7-5-3-2-4-6-5/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-methoxy-2,5-dihydro-1H-pyrrole?
2-methoxy-2,5-dihydro-1H-pyrrole has a molecular weight of 99.13 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 58975955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).