5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one

C12H15NO3 — CID 71170186

IUPAC5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
SMILESCOc1cccc(C2CC(=O)NC2(C)O)c1
InChIInChI=1S/C12H15NO3/c1-12(15)10(7-11(14)13-12)8-4-3-5-9(6-8)16-2/h3-6,10,15H,7H2,1-2H3,(H,13,14)
InChIKeyANCUKZCJJUBWQT-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.01
Rot. Bonds2

About 5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one

5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one (PubChem CID 71170186) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
PubChem CID71170186
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
SMILESCOc1cccc(C2CC(=O)NC2(C)O)c1
InChIInChI=1S/C12H15NO3/c1-12(15)10(7-11(14)13-12)8-4-3-5-9(6-8)16-2/h3-6,10,15H,7H2,1-2H3,(H,13,14)
InChIKeyANCUKZCJJUBWQT-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one (CID 71170186) is 5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one is COc1cccc(C2CC(=O)NC2(C)O)c1.
What is the InChIKey of 5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one?
The InChIKey is ANCUKZCJJUBWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(15)10(7-11(14)13-12)8-4-3-5-9(6-8)16-2/h3-6,10,15H,7H2,1-2H3,(H,13,14).
What are the key properties of 5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one?
5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 71170186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).