1-ethyl-5-methyl-3H-pyrrol-2-one

C7H11NO — CID 121226515

IUPAC1-ethyl-5-methyl-3H-pyrrol-2-one
SMILESCCN1C(=O)CC=C1C
InChIInChI=1S/C7H11NO/c1-3-8-6(2)4-5-7(8)9/h4H,3,5H2,1-2H3
InChIKeyXZIOYYJHFVFPHV-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.14
Rot. Bonds1

About 1-ethyl-5-methyl-3H-pyrrol-2-one

1-ethyl-5-methyl-3H-pyrrol-2-one (PubChem CID 121226515) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-ethyl-5-methyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name1-ethyl-5-methyl-3H-pyrrol-2-one
PubChem CID121226515
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-ethyl-5-methyl-3H-pyrrol-2-one
SMILESCCN1C(=O)CC=C1C
InChIInChI=1S/C7H11NO/c1-3-8-6(2)4-5-7(8)9/h4H,3,5H2,1-2H3
InChIKeyXZIOYYJHFVFPHV-UHFFFAOYSA-N
XLogP1.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-3H-pyrrol-2-one?
The IUPAC name of 1-ethyl-5-methyl-3H-pyrrol-2-one (CID 121226515) is 1-ethyl-5-methyl-3H-pyrrol-2-one.
What is the SMILES notation for 1-ethyl-5-methyl-3H-pyrrol-2-one?
The canonical SMILES for 1-ethyl-5-methyl-3H-pyrrol-2-one is CCN1C(=O)CC=C1C.
What is the InChIKey of 1-ethyl-5-methyl-3H-pyrrol-2-one?
The InChIKey is XZIOYYJHFVFPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-8-6(2)4-5-7(8)9/h4H,3,5H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-3H-pyrrol-2-one?
1-ethyl-5-methyl-3H-pyrrol-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-3H-pyrrol-2-one is sourced from PubChem (CID 121226515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).