(5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

C13H17N3O3 — CID 94154843

IUPAC(5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(CC(=O)c2cccn2C)C1=O
InChIInChI=1S/C13H17N3O3/c1-4-13(2)11(18)16(12(19)14-13)8-10(17)9-6-5-7-15(9)3/h5-7H,4,8H2,1-3H3,(H,14,19)/t13-/m1/s1
InChIKeyGRONKYYXDIOPRM-CYBMUJFWSA-N
MW263.30 g/mol
LogP0.93
Rot. Bonds4

About (5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

(5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 94154843) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID94154843
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(CC(=O)c2cccn2C)C1=O
InChIInChI=1S/C13H17N3O3/c1-4-13(2)11(18)16(12(19)14-13)8-10(17)9-6-5-7-15(9)3/h5-7H,4,8H2,1-3H3,(H,14,19)/t13-/m1/s1
InChIKeyGRONKYYXDIOPRM-CYBMUJFWSA-N
XLogP0.93
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60623089
(5S)-5-ethyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41253437
5-ethyl-5-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62024810
3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 112774183
5-ethyl-3-[2-(furan-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 60623077
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 60623068
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 60623088
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833
(4-phenylphenyl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794225
3-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyridin-2-one
CID 55158414
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385844
2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide
CID 7916609

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 94154843) is (5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(CC(=O)c2cccn2C)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is GRONKYYXDIOPRM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-13(2)11(18)16(12(19)14-13)8-10(17)9-6-5-7-15(9)3/h5-7H,4,8H2,1-3H3,(H,14,19)/t13-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
(5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 94154843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).