2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde

C10H16N2O3 — CID 62022872

IUPAC2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde
SMILESCCCCC1(C)NC(=O)N(CC=O)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-4-5-10(2)8(14)12(6-7-13)9(15)11-10/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyVRYWHUJVMXOTLZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.69
Rot. Bonds5

About 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde

2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde (PubChem CID 62022872) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde
PubChem CID62022872
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde
SMILESCCCCC1(C)NC(=O)N(CC=O)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-4-5-10(2)8(14)12(6-7-13)9(15)11-10/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyVRYWHUJVMXOTLZ-UHFFFAOYSA-N
XLogP0.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydrazinyl 3-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 66337876
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63039438
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 155964614
5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione
CID 70594895
5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086975
[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8935849
5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556194
2-[4-(3-aminopropyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 21357443
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9485844
4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide
CID 84601474
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
(5S)-5-butyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8522288

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde?
The IUPAC name of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde (CID 62022872) is 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde is CCCCC1(C)NC(=O)N(CC=O)C1=O.
What is the InChIKey of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde?
The InChIKey is VRYWHUJVMXOTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-4-5-10(2)8(14)12(6-7-13)9(15)11-10/h7H,3-6H2,1-2H3,(H,11,15).
What are the key properties of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde?
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde has a molecular weight of 212.25 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde is sourced from PubChem (CID 62022872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).