1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one

C15H21NO2 — CID 176647651

IUPAC1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCC(C)c1ccc(C2CCC(=O)N2CCO)cc1
InChIInChI=1S/C15H21NO2/c1-11(2)12-3-5-13(6-4-12)14-7-8-15(18)16(14)9-10-17/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyLWDILICPRYYDSW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.47
Rot. Bonds4

About 1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one

1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 176647651) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one
PubChem CID176647651
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCC(C)c1ccc(C2CCC(=O)N2CCO)cc1
InChIInChI=1S/C15H21NO2/c1-11(2)12-3-5-13(6-4-12)14-7-8-15(18)16(14)9-10-17/h3-6,11,14,17H,7-10H2,1-2H3
InChIKeyLWDILICPRYYDSW-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one (CID 176647651) is 1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one is CC(C)c1ccc(C2CCC(=O)N2CCO)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is LWDILICPRYYDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)12-3-5-13(6-4-12)14-7-8-15(18)16(14)9-10-17/h3-6,11,14,17H,7-10H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one?
1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 176647651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).