5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one

C12H15NO2 — CID 3042359

IUPAC5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(C2(O)CCC(=O)N2C)c1
InChIInChI=1S/C12H15NO2/c1-9-4-3-5-10(8-9)12(15)7-6-11(14)13(12)2/h3-5,8,15H,6-7H2,1-2H3
InChIKeyYVSSROZPEKIDFD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.39
Rot. Bonds1

About 5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one

5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one (PubChem CID 3042359) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one
PubChem CID3042359
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(C2(O)CCC(=O)N2C)c1
InChIInChI=1S/C12H15NO2/c1-9-4-3-5-10(8-9)12(15)7-6-11(14)13(12)2/h3-5,8,15H,6-7H2,1-2H3
InChIKeyYVSSROZPEKIDFD-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one (CID 3042359) is 5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one is Cc1cccc(C2(O)CCC(=O)N2C)c1.
What is the InChIKey of 5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one?
The InChIKey is YVSSROZPEKIDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-4-3-5-10(8-9)12(15)7-6-11(14)13(12)2/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one?
5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-5-(3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 3042359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).