3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal

C9H14N2O3 — CID 63039438

IUPAC3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
SMILESCCC1(C)NC(=O)N(CCC=O)C1=O
InChIInChI=1S/C9H14N2O3/c1-3-9(2)7(13)11(5-4-6-12)8(14)10-9/h6H,3-5H2,1-2H3,(H,10,14)
InChIKeyQETLXGDFFLPZNC-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.30
Rot. Bonds4

About 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal

3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal (PubChem CID 63039438) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal.

Molecular Properties

Compound Name3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
PubChem CID63039438
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
SMILESCCC1(C)NC(=O)N(CCC=O)C1=O
InChIInChI=1S/C9H14N2O3/c1-3-9(2)7(13)11(5-4-6-12)8(14)10-9/h6H,3-5H2,1-2H3,(H,10,14)
InChIKeyQETLXGDFFLPZNC-UHFFFAOYSA-N
XLogP0.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.30
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

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63040568
3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 61396577
3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 63629297
5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile
CID 60673570
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
CID 63577196
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833
3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea
CID 99122564
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823
5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234072
3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 20725533
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde
CID 62022872

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal?
The IUPAC name of 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal (CID 63039438) is 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal.
What is the SMILES notation for 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal?
The canonical SMILES for 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal is CCC1(C)NC(=O)N(CCC=O)C1=O.
What is the InChIKey of 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal?
The InChIKey is QETLXGDFFLPZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-9(2)7(13)11(5-4-6-12)8(14)10-9/h6H,3-5H2,1-2H3,(H,10,14).
What are the key properties of 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal?
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal has a molecular weight of 198.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal is sourced from PubChem (CID 63039438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).