3-ethyl-1,3-dihydropyrrol-2-one

C6H9NO — CID 55288257

IUPAC3-ethyl-1,3-dihydropyrrol-2-one
SMILESCCC1C=CNC1=O
InChIInChI=1S/C6H9NO/c1-2-5-3-4-7-6(5)8/h3-5H,2H2,1H3,(H,7,8)
InChIKeyUGAHQGBVQJDSNG-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.66
Rot. Bonds1

About 3-ethyl-1,3-dihydropyrrol-2-one

3-ethyl-1,3-dihydropyrrol-2-one (PubChem CID 55288257) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3-ethyl-1,3-dihydropyrrol-2-one.

Molecular Properties

Compound Name3-ethyl-1,3-dihydropyrrol-2-one
PubChem CID55288257
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3-ethyl-1,3-dihydropyrrol-2-one
SMILESCCC1C=CNC1=O
InChIInChI=1S/C6H9NO/c1-2-5-3-4-7-6(5)8/h3-5H,2H2,1H3,(H,7,8)
InChIKeyUGAHQGBVQJDSNG-UHFFFAOYSA-N
XLogP0.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3-dihydropyrrol-2-one?
The IUPAC name of 3-ethyl-1,3-dihydropyrrol-2-one (CID 55288257) is 3-ethyl-1,3-dihydropyrrol-2-one.
What is the SMILES notation for 3-ethyl-1,3-dihydropyrrol-2-one?
The canonical SMILES for 3-ethyl-1,3-dihydropyrrol-2-one is CCC1C=CNC1=O.
What is the InChIKey of 3-ethyl-1,3-dihydropyrrol-2-one?
The InChIKey is UGAHQGBVQJDSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-5-3-4-7-6(5)8/h3-5H,2H2,1H3,(H,7,8).
What are the key properties of 3-ethyl-1,3-dihydropyrrol-2-one?
3-ethyl-1,3-dihydropyrrol-2-one has a molecular weight of 111.14 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3-dihydropyrrol-2-one is sourced from PubChem (CID 55288257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).