3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one

C8H13NO — CID 14729909

IUPAC3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one
SMILESCCC1=C(C)C(=O)NC1C
InChIInChI=1S/C8H13NO/c1-4-7-5(2)8(10)9-6(7)3/h6H,4H2,1-3H3,(H,9,10)
InChIKeyWJYNPJANPBVGCG-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.23
Rot. Bonds1

About 3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one

3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one (PubChem CID 14729909) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one
PubChem CID14729909
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one
SMILESCCC1=C(C)C(=O)NC1C
InChIInChI=1S/C8H13NO/c1-4-7-5(2)8(10)9-6(7)3/h6H,4H2,1-3H3,(H,9,10)
InChIKeyWJYNPJANPBVGCG-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one (CID 14729909) is 3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one is CCC1=C(C)C(=O)NC1C.
What is the InChIKey of 3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one?
The InChIKey is WJYNPJANPBVGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-7-5(2)8(10)9-6(7)3/h6H,4H2,1-3H3,(H,9,10).
What are the key properties of 3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one?
3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one has a molecular weight of 139.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 14729909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).