5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione

C12H21N3O2 — CID 103071778

IUPAC5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione
SMILESC=C(CNCC)CN1C(=O)NC(C)(CC)C1=O
InChIInChI=1S/C12H21N3O2/c1-5-12(4)10(16)15(11(17)14-12)8-9(3)7-13-6-2/h13H,3,5-8H2,1-2,4H3,(H,14,17)
InChIKeyPQRHNSYUWVNPCC-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.87
Rot. Bonds6

About 5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione

5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione (PubChem CID 103071778) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione
PubChem CID103071778
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione
SMILESC=C(CNCC)CN1C(=O)NC(C)(CC)C1=O
InChIInChI=1S/C12H21N3O2/c1-5-12(4)10(16)15(11(17)14-12)8-9(3)7-13-6-2/h13H,3,5-8H2,1-2,4H3,(H,14,17)
InChIKeyPQRHNSYUWVNPCC-UHFFFAOYSA-N
XLogP0.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
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

2-[2-(ethylaminomethyl)prop-2-enyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 103072705
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833
ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate
CID 95357591
3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
CID 43170651
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63039438
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107866565
N-cyclopentyl-2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 60623061
methyl 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 60636188
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107319254
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 115362807
N-(3,5-dimethylphenyl)-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2117004
5-ethyl-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 60623070

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione (CID 103071778) is 5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione is C=C(CNCC)CN1C(=O)NC(C)(CC)C1=O.
What is the InChIKey of 5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PQRHNSYUWVNPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-12(4)10(16)15(11(17)14-12)8-9(3)7-13-6-2/h13H,3,5-8H2,1-2,4H3,(H,14,17).
What are the key properties of 5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione?
5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-(ethylaminomethyl)prop-2-enyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 103071778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).