5-(hydroxymethyl)-1-phenylpyrrolidin-2-one

C11H13NO2 — CID 91297811

IUPAC5-(hydroxymethyl)-1-phenylpyrrolidin-2-one
SMILESO=C1CCC(CO)N1c1ccccc1
InChIInChI=1S/C11H13NO2/c13-8-10-6-7-11(14)12(10)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyOJRTXCFQOCTOOQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.17
Rot. Bonds2

About 5-(hydroxymethyl)-1-phenylpyrrolidin-2-one

5-(hydroxymethyl)-1-phenylpyrrolidin-2-one (PubChem CID 91297811) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-phenylpyrrolidin-2-one
PubChem CID91297811
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-(hydroxymethyl)-1-phenylpyrrolidin-2-one
SMILESO=C1CCC(CO)N1c1ccccc1
InChIInChI=1S/C11H13NO2/c13-8-10-6-7-11(14)12(10)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyOJRTXCFQOCTOOQ-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-phenylpyrrolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-1-phenylpyrrolidin-2-one (CID 91297811) is 5-(hydroxymethyl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1-phenylpyrrolidin-2-one is O=C1CCC(CO)N1c1ccccc1.
What is the InChIKey of 5-(hydroxymethyl)-1-phenylpyrrolidin-2-one?
The InChIKey is OJRTXCFQOCTOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-8-10-6-7-11(14)12(10)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2.
What are the key properties of 5-(hydroxymethyl)-1-phenylpyrrolidin-2-one?
5-(hydroxymethyl)-1-phenylpyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 91297811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).