4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one

C8H13NO2 — CID 146290012

IUPAC4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one
SMILESCCC1=CC(OC)N(C)C1=O
InChIInChI=1S/C8H13NO2/c1-4-6-5-7(11-3)9(2)8(6)10/h5,7H,4H2,1-3H3
InChIKeyMZBZUGNBGYFZHR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds2

About 4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one

4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one (PubChem CID 146290012) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one
PubChem CID146290012
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one
SMILESCCC1=CC(OC)N(C)C1=O
InChIInChI=1S/C8H13NO2/c1-4-6-5-7(11-3)9(2)8(6)10/h5,7H,4H2,1-3H3
InChIKeyMZBZUGNBGYFZHR-UHFFFAOYSA-N
XLogP0.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one (CID 146290012) is 4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one is CCC1=CC(OC)N(C)C1=O.
What is the InChIKey of 4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is MZBZUGNBGYFZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-6-5-7(11-3)9(2)8(6)10/h5,7H,4H2,1-3H3.
What are the key properties of 4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one?
4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 146290012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).