5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one

C12H15NO2 — CID 123327926

IUPAC5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C(=O)CCC2CO)cc1
InChIInChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)13-11(8-14)6-7-12(13)15/h2-5,11,14H,6-8H2,1H3
InChIKeyFQQSRQZGEYMMEX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.48
Rot. Bonds2

About 5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one

5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 123327926) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID123327926
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C(=O)CCC2CO)cc1
InChIInChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)13-11(8-14)6-7-12(13)15/h2-5,11,14H,6-8H2,1H3
InChIKeyFQQSRQZGEYMMEX-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one (CID 123327926) is 5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2C(=O)CCC2CO)cc1.
What is the InChIKey of 5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is FQQSRQZGEYMMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-2-4-10(5-3-9)13-11(8-14)6-7-12(13)15/h2-5,11,14H,6-8H2,1H3.
What are the key properties of 5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one?
5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 123327926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).