2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one

C10H17NO3 — CID 175699718

IUPAC2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1CCCOC
InChIInChI=1S/C10H17NO3/c1-3-8-7-9(12)10(13)11(8)5-4-6-14-2/h7-8,12H,3-6H2,1-2H3
InChIKeyNCUQSWPTFFCIRW-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.09
Rot. Bonds5

About 2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one

2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one (PubChem CID 175699718) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
PubChem CID175699718
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
SMILESCCC1C=C(O)C(=O)N1CCCOC
InChIInChI=1S/C10H17NO3/c1-3-8-7-9(12)10(13)11(8)5-4-6-14-2/h7-8,12H,3-6H2,1-2H3
InChIKeyNCUQSWPTFFCIRW-UHFFFAOYSA-N
XLogP1.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one?
The IUPAC name of 2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one (CID 175699718) is 2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one is CCC1C=C(O)C(=O)N1CCCOC.
What is the InChIKey of 2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one?
The InChIKey is NCUQSWPTFFCIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-8-7-9(12)10(13)11(8)5-4-6-14-2/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one?
2-ethyl-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one has a molecular weight of 199.25 g/mol, XLogP of 1.09, 5 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-(3-methoxypropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 175699718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).