5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one

C17H22N2O3 — CID 123561416

IUPAC5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one
SMILESC=CC(C)C1(C)C(=O)N(CC(=O)c2ccccc2)C(O)N1C
InChIInChI=1S/C17H22N2O3/c1-5-12(2)17(3)15(21)19(16(22)18(17)4)11-14(20)13-9-7-6-8-10-13/h5-10,12,16,22H,1,11H2,2-4H3
InChIKeyYUHLLQHGXYETBI-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.50
Rot. Bonds5

About 5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one

5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one (PubChem CID 123561416) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one.

Molecular Properties

Compound Name5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one
PubChem CID123561416
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one
SMILESC=CC(C)C1(C)C(=O)N(CC(=O)c2ccccc2)C(O)N1C
InChIInChI=1S/C17H22N2O3/c1-5-12(2)17(3)15(21)19(16(22)18(17)4)11-14(20)13-9-7-6-8-10-13/h5-10,12,16,22H,1,11H2,2-4H3
InChIKeyYUHLLQHGXYETBI-UHFFFAOYSA-N
XLogP1.50
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one?
The IUPAC name of 5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one (CID 123561416) is 5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one.
What is the SMILES notation for 5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one?
The canonical SMILES for 5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one is C=CC(C)C1(C)C(=O)N(CC(=O)c2ccccc2)C(O)N1C.
What is the InChIKey of 5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one?
The InChIKey is YUHLLQHGXYETBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-12(2)17(3)15(21)19(16(22)18(17)4)11-14(20)13-9-7-6-8-10-13/h5-10,12,16,22H,1,11H2,2-4H3.
What are the key properties of 5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one?
5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one has a molecular weight of 302.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-yl-2-hydroxy-1,5-dimethyl-3-phenacylimidazolidin-4-one is sourced from PubChem (CID 123561416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).