2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole

C8H15NO — CID 10558715

IUPAC2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole
SMILESCCC1N=C(OC)CC1C
InChIInChI=1S/C8H15NO/c1-4-7-6(2)5-8(9-7)10-3/h6-7H,4-5H2,1-3H3
InChIKeyJWSUYAUHDBOYMF-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.85
Rot. Bonds1

About 2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole

2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 10558715) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole
PubChem CID10558715
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole
SMILESCCC1N=C(OC)CC1C
InChIInChI=1S/C8H15NO/c1-4-7-6(2)5-8(9-7)10-3/h6-7H,4-5H2,1-3H3
InChIKeyJWSUYAUHDBOYMF-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole (CID 10558715) is 2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole is CCC1N=C(OC)CC1C.
What is the InChIKey of 2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is JWSUYAUHDBOYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7-6(2)5-8(9-7)10-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole?
2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 141.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methoxy-3-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 10558715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).