3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one

C12H15NO3 — CID 11736175

IUPAC3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CN(c2ccc(O)cc2)C(=O)C1O
InChIInChI=1S/C12H15NO3/c1-12(2)7-13(11(16)10(12)15)8-3-5-9(14)6-4-8/h3-6,10,14-15H,7H2,1-2H3
InChIKeyZGVIVRPWORTDQA-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.13
Rot. Bonds1

About 3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one

3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one (PubChem CID 11736175) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one
PubChem CID11736175
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CN(c2ccc(O)cc2)C(=O)C1O
InChIInChI=1S/C12H15NO3/c1-12(2)7-13(11(16)10(12)15)8-3-5-9(14)6-4-8/h3-6,10,14-15H,7H2,1-2H3
InChIKeyZGVIVRPWORTDQA-UHFFFAOYSA-N
XLogP1.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one (CID 11736175) is 3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one is CC1(C)CN(c2ccc(O)cc2)C(=O)C1O.
What is the InChIKey of 3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one?
The InChIKey is ZGVIVRPWORTDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(2)7-13(11(16)10(12)15)8-3-5-9(14)6-4-8/h3-6,10,14-15H,7H2,1-2H3.
What are the key properties of 3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one?
3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 11736175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).