3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one

C17H22N2O2 — CID 83248628

IUPAC3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one
SMILESC=CCOc1ccc(C2NCC(=O)N2C2CC2(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-4-9-21-13-7-5-12(6-8-13)16-18-11-15(20)19(16)14-10-17(14,2)3/h4-8,14,16,18H,1,9-11H2,2-3H3
InChIKeySZKUPDKDSDRSGI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.48
Rot. Bonds5

About 3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one

3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one (PubChem CID 83248628) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one
PubChem CID83248628
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one
SMILESC=CCOc1ccc(C2NCC(=O)N2C2CC2(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-4-9-21-13-7-5-12(6-8-13)16-18-11-15(20)19(16)14-10-17(14,2)3/h4-8,14,16,18H,1,9-11H2,2-3H3
InChIKeySZKUPDKDSDRSGI-UHFFFAOYSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 115282346
6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83244933
3-ethyl-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one
CID 115282177
(2S)-2-(4-prop-2-enoxyphenyl)aziridine
CID 55263639
5-methyl-7-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 4967062
3-(2,2-difluoroethyl)-5-methyl-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one
CID 83268492
3-cycloheptyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83246732
3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83242702
3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83242129
2-(4-propoxyphenyl)-3-propylimidazolidin-4-one
CID 115282100
3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83247056
2-(4-ethoxyphenyl)-3-(3-methylbutyl)imidazolidin-4-one
CID 83236919

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one (CID 83248628) is 3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one is C=CCOc1ccc(C2NCC(=O)N2C2CC2(C)C)cc1.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one?
The InChIKey is SZKUPDKDSDRSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-9-21-13-7-5-12(6-8-13)16-18-11-15(20)19(16)14-10-17(14,2)3/h4-8,14,16,18H,1,9-11H2,2-3H3.
What are the key properties of 3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one?
3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one has a molecular weight of 286.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)-2-(4-prop-2-enoxyphenyl)imidazolidin-4-one is sourced from PubChem (CID 83248628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).