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

C19H25N3O3 — CID 126729139

IUPAC5-[(5S)-5-ethylcyclohex-3-en-1-yl]-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCC[C@@H]1C=CCC(C2(C)C(=O)N(CC(=O)c3ccc[nH]3)C(=O)N2C)C1
InChIInChI=1S/C19H25N3O3/c1-4-13-7-5-8-14(11-13)19(2)17(24)22(18(25)21(19)3)12-16(23)15-9-6-10-20-15/h5-7,9-10,13-14,20H,4,8,11-12H2,1-3H3/t13-,14?,19?/m1/s1
InChIKeyHRMRVMQTGJAGAQ-VFPJAPOESA-N
MW343.43 g/mol
LogP2.84
Rot. Bonds5

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

5-[(5S)-5-ethylcyclohex-3-en-1-yl]-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 126729139) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-[(5S)-5-ethylcyclohex-3-en-1-yl]-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5S)-5-ethylcyclohex-3-en-1-yl]-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
PubChem CID126729139
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name5-[(5S)-5-ethylcyclohex-3-en-1-yl]-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
SMILESCC[C@@H]1C=CCC(C2(C)C(=O)N(CC(=O)c3ccc[nH]3)C(=O)N2C)C1
InChIInChI=1S/C19H25N3O3/c1-4-13-7-5-8-14(11-13)19(2)17(24)22(18(25)21(19)3)12-16(23)15-9-6-10-20-15/h5-7,9-10,13-14,20H,4,8,11-12H2,1-3H3/t13-,14?,19?/m1/s1
InChIKeyHRMRVMQTGJAGAQ-VFPJAPOESA-N
XLogP2.84
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.84
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-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 90359210
(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
5-(3-bicyclo[3.2.2]nona-1(7),5,8-trienyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 123256787
(5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 8892845
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 7242837
2-(4-methyl-1,4-diazepan-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219820
2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 61432659
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9110126
5-(2-bicyclo[2.2.2]oct-5-enyl)-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 123858371
3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18775236

Frequently Asked Questions

What is the IUPAC name of 5-[(5S)-5-ethylcyclohex-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-[(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) is 5-[(5S)-5-ethylcyclohex-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-[(5S)-5-ethylcyclohex-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-[(5S)-5-ethylcyclohex-3-en-1-yl]-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione is CC[C@@H]1C=CCC(C2(C)C(=O)N(CC(=O)c3ccc[nH]3)C(=O)N2C)C1.
What is the InChIKey of 5-[(5S)-5-ethylcyclohex-3-en-1-yl]-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is HRMRVMQTGJAGAQ-VFPJAPOESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-13-7-5-8-14(11-13)19(2)17(24)22(18(25)21(19)3)12-16(23)15-9-6-10-20-15/h5-7,9-10,13-14,20H,4,8,11-12H2,1-3H3/t13-,14?,19?/m1/s1.
What are the key properties of 5-[(5S)-5-ethylcyclohex-3-en-1-yl]-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione?
5-[(5S)-5-ethylcyclohex-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 343.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5S)-5-ethylcyclohex-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 126729139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).