5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole

C7H13NO — CID 59089666

IUPAC5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole
SMILESCOCCC1=NCCC1
InChIInChI=1S/C7H13NO/c1-9-6-4-7-3-2-5-8-7/h2-6H2,1H3
InChIKeyDRYSRTRXONIJEK-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.26
Rot. Bonds3

About 5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole

5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole (PubChem CID 59089666) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole
PubChem CID59089666
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole
SMILESCOCCC1=NCCC1
InChIInChI=1S/C7H13NO/c1-9-6-4-7-3-2-5-8-7/h2-6H2,1H3
InChIKeyDRYSRTRXONIJEK-UHFFFAOYSA-N
XLogP1.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole (CID 59089666) is 5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole is COCCC1=NCCC1.
What is the InChIKey of 5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is DRYSRTRXONIJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-9-6-4-7-3-2-5-8-7/h2-6H2,1H3.
What are the key properties of 5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole?
5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 127.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 59089666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).