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

C10H17NO3 — CID 175699741

IUPAC2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1CC(C)(C)O
InChIInChI=1S/C10H17NO3/c1-4-7-5-8(12)9(13)11(7)6-10(2,3)14/h5,7,12,14H,4,6H2,1-3H3
InChIKeyBNJSFRPQSMMIEX-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.82
Rot. Bonds3

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

2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one (PubChem CID 175699741) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one
PubChem CID175699741
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1CC(C)(C)O
InChIInChI=1S/C10H17NO3/c1-4-7-5-8(12)9(13)11(7)6-10(2,3)14/h5,7,12,14H,4,6H2,1-3H3
InChIKeyBNJSFRPQSMMIEX-UHFFFAOYSA-N
XLogP0.82
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one?
The IUPAC name of 2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one (CID 175699741) is 2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one is CCC1C=C(O)C(=O)N1CC(C)(C)O.
What is the InChIKey of 2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one?
The InChIKey is BNJSFRPQSMMIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-7-5-8(12)9(13)11(7)6-10(2,3)14/h5,7,12,14H,4,6H2,1-3H3.
What are the key properties of 2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one?
2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one has a molecular weight of 199.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-1-(2-hydroxy-2-methylpropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 175699741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).