2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one

C13H16N2O3 — CID 142012639

IUPAC2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one
SMILESCCC(=O)N1CC(=O)N(C)C1c1ccc(O)cc1
InChIInChI=1S/C13H16N2O3/c1-3-11(17)15-8-12(18)14(2)13(15)9-4-6-10(16)7-5-9/h4-7,13,16H,3,8H2,1-2H3
InChIKeySYPIRRLPEBMYOX-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.10
Rot. Bonds2

About 2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one

2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one (PubChem CID 142012639) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one
PubChem CID142012639
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one
SMILESCCC(=O)N1CC(=O)N(C)C1c1ccc(O)cc1
InChIInChI=1S/C13H16N2O3/c1-3-11(17)15-8-12(18)14(2)13(15)9-4-6-10(16)7-5-9/h4-7,13,16H,3,8H2,1-2H3
InChIKeySYPIRRLPEBMYOX-UHFFFAOYSA-N
XLogP1.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one (CID 142012639) is 2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one is CCC(=O)N1CC(=O)N(C)C1c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one?
The InChIKey is SYPIRRLPEBMYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-11(17)15-8-12(18)14(2)13(15)9-4-6-10(16)7-5-9/h4-7,13,16H,3,8H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one?
2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one has a molecular weight of 248.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-methyl-1-propanoylimidazolidin-4-one is sourced from PubChem (CID 142012639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).