1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one

C18H19NO2 — CID 15670583

IUPAC1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCC(CCc2ccc(-c3ccccc3)cc2)N1O
InChIInChI=1S/C18H19NO2/c20-18-13-12-17(19(18)21)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,17,21H,8,11-13H2
InChIKeyKEDPDLCOGSAUIO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.67
Rot. Bonds4

About 1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one

1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one (PubChem CID 15670583) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one
PubChem CID15670583
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCC(CCc2ccc(-c3ccccc3)cc2)N1O
InChIInChI=1S/C18H19NO2/c20-18-13-12-17(19(18)21)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,17,21H,8,11-13H2
InChIKeyKEDPDLCOGSAUIO-UHFFFAOYSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one (CID 15670583) is 1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one is O=C1CCC(CCc2ccc(-c3ccccc3)cc2)N1O.
What is the InChIKey of 1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is KEDPDLCOGSAUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18-13-12-17(19(18)21)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,17,21H,8,11-13H2.
What are the key properties of 1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one?
1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-[2-(4-phenylphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 15670583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).