1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one

C8H13NO2 — CID 123476236

IUPAC1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C=CC1C
InChIInChI=1S/C8H13NO2/c1-7-3-4-8(10)9(7)5-6-11-2/h3-4,7H,5-6H2,1-2H3
InChIKeyPUWBXLLLIGXTNA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds3

About 1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one

1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one (PubChem CID 123476236) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one
PubChem CID123476236
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one
SMILESCOCCN1C(=O)C=CC1C
InChIInChI=1S/C8H13NO2/c1-7-3-4-8(10)9(7)5-6-11-2/h3-4,7H,5-6H2,1-2H3
InChIKeyPUWBXLLLIGXTNA-UHFFFAOYSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one (CID 123476236) is 1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one is COCCN1C(=O)C=CC1C.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one?
The InChIKey is PUWBXLLLIGXTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7-3-4-8(10)9(7)5-6-11-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one?
1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 123476236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).