5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione

C17H21N3O3 — CID 90359210

IUPAC5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2ccc[nH]2)C(=O)C1(C)C1CC=CCC1
InChIInChI=1S/C17H21N3O3/c1-17(12-7-4-3-5-8-12)15(22)20(16(23)19(17)2)11-14(21)13-9-6-10-18-13/h3-4,6,9-10,12,18H,5,7-8,11H2,1-2H3
InChIKeyGFXGMUCYQIOGNW-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.21
Rot. Bonds4

About 5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione

5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 90359210) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
PubChem CID90359210
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2ccc[nH]2)C(=O)C1(C)C1CC=CCC1
InChIInChI=1S/C17H21N3O3/c1-17(12-7-4-3-5-8-12)15(22)20(16(23)19(17)2)11-14(21)13-9-6-10-18-13/h3-4,6,9-10,12,18H,5,7-8,11H2,1-2H3
InChIKeyGFXGMUCYQIOGNW-UHFFFAOYSA-N
XLogP2.21
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(5S)-5-ethylcyclohex-3-en-1-yl]-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 126729139
(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 25485121
5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 90359173
5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 78324504
(5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 8892845
2-(4,4-dimethylazepan-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 65282626
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 7242837
2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 43797318
3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18775236
5-[(2S)-2-bicyclo[2.2.2]octanyl]-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 118599469
2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219442
5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 56797913

Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione (CID 90359210) is 5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione is CN1C(=O)N(CC(=O)c2ccc[nH]2)C(=O)C1(C)C1CC=CCC1.
What is the InChIKey of 5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is GFXGMUCYQIOGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(12-7-4-3-5-8-12)15(22)20(16(23)19(17)2)11-14(21)13-9-6-10-18-13/h3-4,6,9-10,12,18H,5,7-8,11H2,1-2H3.
What are the key properties of 5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione?
5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90359210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).