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

C6H9NO2 — CID 135265082

IUPAC3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one
SMILESCCC1=CC(=O)NC1O
InChIInChI=1S/C6H9NO2/c1-2-4-3-5(8)7-6(4)9/h3,6,9H,2H2,1H3,(H,7,8)
InChIKeyLLWRHOYPVZVWIU-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.23
Rot. Bonds1

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

3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 135265082) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID135265082
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one
SMILESCCC1=CC(=O)NC1O
InChIInChI=1S/C6H9NO2/c1-2-4-3-5(8)7-6(4)9/h3,6,9H,2H2,1H3,(H,7,8)
InChIKeyLLWRHOYPVZVWIU-UHFFFAOYSA-N
XLogP-0.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one (CID 135265082) is 3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one is CCC1=CC(=O)NC1O.
What is the InChIKey of 3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is LLWRHOYPVZVWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-4-3-5(8)7-6(4)9/h3,6,9H,2H2,1H3,(H,7,8).
What are the key properties of 3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one?
3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 127.14 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 135265082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).