5-ethyl-4-methylpyrrol-2-one

C7H9NO — CID 90298419

IUPAC5-ethyl-4-methylpyrrol-2-one
SMILESCCC1=NC(=O)C=C1C
InChIInChI=1S/C7H9NO/c1-3-6-5(2)4-7(9)8-6/h4H,3H2,1-2H3
InChIKeyITMGKJYTICNUJG-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.32
Rot. Bonds1

About 5-ethyl-4-methylpyrrol-2-one

5-ethyl-4-methylpyrrol-2-one (PubChem CID 90298419) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 5-ethyl-4-methylpyrrol-2-one.

Molecular Properties

Compound Name5-ethyl-4-methylpyrrol-2-one
PubChem CID90298419
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name5-ethyl-4-methylpyrrol-2-one
SMILESCCC1=NC(=O)C=C1C
InChIInChI=1S/C7H9NO/c1-3-6-5(2)4-7(9)8-6/h4H,3H2,1-2H3
InChIKeyITMGKJYTICNUJG-UHFFFAOYSA-N
XLogP1.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methylpyrrol-2-one?
The IUPAC name of 5-ethyl-4-methylpyrrol-2-one (CID 90298419) is 5-ethyl-4-methylpyrrol-2-one.
What is the SMILES notation for 5-ethyl-4-methylpyrrol-2-one?
The canonical SMILES for 5-ethyl-4-methylpyrrol-2-one is CCC1=NC(=O)C=C1C.
What is the InChIKey of 5-ethyl-4-methylpyrrol-2-one?
The InChIKey is ITMGKJYTICNUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-6-5(2)4-7(9)8-6/h4H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-methylpyrrol-2-one?
5-ethyl-4-methylpyrrol-2-one has a molecular weight of 123.15 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methylpyrrol-2-one is sourced from PubChem (CID 90298419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).