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

C6H9NO — CID 14121451

IUPAC3-ethyl-1,2-dihydropyrrol-5-one
SMILESCCC1=CC(=O)NC1
InChIInChI=1S/C6H9NO/c1-2-5-3-6(8)7-4-5/h3H,2,4H2,1H3,(H,7,8)
InChIKeyFGKDKXXYUIGVHF-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.45
Rot. Bonds1

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

3-ethyl-1,2-dihydropyrrol-5-one (PubChem CID 14121451) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3-ethyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-ethyl-1,2-dihydropyrrol-5-one
PubChem CID14121451
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3-ethyl-1,2-dihydropyrrol-5-one
SMILESCCC1=CC(=O)NC1
InChIInChI=1S/C6H9NO/c1-2-5-3-6(8)7-4-5/h3H,2,4H2,1H3,(H,7,8)
InChIKeyFGKDKXXYUIGVHF-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-ethyl-1,2-dihydropyrrol-5-one (CID 14121451) is 3-ethyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-ethyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-ethyl-1,2-dihydropyrrol-5-one is CCC1=CC(=O)NC1.
What is the InChIKey of 3-ethyl-1,2-dihydropyrrol-5-one?
The InChIKey is FGKDKXXYUIGVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-5-3-6(8)7-4-5/h3H,2,4H2,1H3,(H,7,8).
What are the key properties of 3-ethyl-1,2-dihydropyrrol-5-one?
3-ethyl-1,2-dihydropyrrol-5-one has a molecular weight of 111.14 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 14121451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).