2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one

C11H17NO3 — CID 175699810

IUPAC2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1C1CCOCC1
InChIInChI=1S/C11H17NO3/c1-2-8-7-10(13)11(14)12(8)9-3-5-15-6-4-9/h7-9,13H,2-6H2,1H3
InChIKeyVLZZWNQEWZXQEO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.23
Rot. Bonds2

About 2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one

2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one (PubChem CID 175699810) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one
PubChem CID175699810
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1C1CCOCC1
InChIInChI=1S/C11H17NO3/c1-2-8-7-10(13)11(14)12(8)9-3-5-15-6-4-9/h7-9,13H,2-6H2,1H3
InChIKeyVLZZWNQEWZXQEO-UHFFFAOYSA-N
XLogP1.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one?
The IUPAC name of 2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one (CID 175699810) is 2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one?
The canonical SMILES for 2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one is CCC1C=C(O)C(=O)N1C1CCOCC1.
What is the InChIKey of 2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one?
The InChIKey is VLZZWNQEWZXQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-8-7-10(13)11(14)12(8)9-3-5-15-6-4-9/h7-9,13H,2-6H2,1H3.
What are the key properties of 2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one?
2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one has a molecular weight of 211.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-1-(oxan-4-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 175699810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).