1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one

C15H21NO3 — CID 3076574

IUPAC1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one
SMILESCc1cccc(C(O)COCCN2CCCC2=O)c1
InChIInChI=1S/C15H21NO3/c1-12-4-2-5-13(10-12)14(17)11-19-9-8-16-7-3-6-15(16)18/h2,4-5,10,14,17H,3,6-9,11H2,1H3
InChIKeyXEYGUVUMSVRWED-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.67
Rot. Bonds6

About 1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one

1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one (PubChem CID 3076574) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one
PubChem CID3076574
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one
SMILESCc1cccc(C(O)COCCN2CCCC2=O)c1
InChIInChI=1S/C15H21NO3/c1-12-4-2-5-13(10-12)14(17)11-19-9-8-16-7-3-6-15(16)18/h2,4-5,10,14,17H,3,6-9,11H2,1H3
InChIKeyXEYGUVUMSVRWED-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.67
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 1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one (CID 3076574) is 1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one is Cc1cccc(C(O)COCCN2CCCC2=O)c1.
What is the InChIKey of 1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one?
The InChIKey is XEYGUVUMSVRWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-4-2-5-13(10-12)14(17)11-19-9-8-16-7-3-6-15(16)18/h2,4-5,10,14,17H,3,6-9,11H2,1H3.
What are the key properties of 1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one?
1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 3076574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).