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

C9H14N2O3 — CID 20725533

IUPAC3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal
SMILESCN1C(=O)N(CCC=O)C(=O)C1(C)C
InChIInChI=1S/C9H14N2O3/c1-9(2)7(13)11(5-4-6-12)8(14)10(9)3/h6H,4-5H2,1-3H3
InChIKeyRNAYIXVNDWDLPB-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.25
Rot. Bonds3

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

3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal (PubChem CID 20725533) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal.

Molecular Properties

Compound Name3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal
PubChem CID20725533
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal
SMILESCN1C(=O)N(CCC=O)C(=O)C1(C)C
InChIInChI=1S/C9H14N2O3/c1-9(2)7(13)11(5-4-6-12)8(14)10(9)3/h6H,4-5H2,1-3H3
InChIKeyRNAYIXVNDWDLPB-UHFFFAOYSA-N
XLogP0.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.25
H-Bond Donors ≤ 50
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-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63039438
3-bromo-1,5,5-trimethylimidazolidine-2,4-dione
CID 20663865
3-hydroxy-1,5,5-trimethylimidazolidine-2,4-dione
CID 18314235
2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanoic acid
CID 54221869
3,4,4-trimethyl-2,5-dioxoimidazolidine-1-carbonitrile
CID 13495930
3-(dihydroxymethyl)-1,5,5-trimethylimidazolidine-2,4-dione
CID 154636883
2-benzoyl-2-sulfanyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 91571981
3-(5,5-dimethyl-3-oxo-1,2-oxazolidin-2-yl)propanal
CID 105434715
1,3-bis(3-methoxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 118434094
butyl 2-(bromomethyl)-5-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)pentanoate
CID 142682605
3-(5-nitro-1,3-dioxoisoindol-2-yl)propanal
CID 63040575

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal?
The IUPAC name of 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal (CID 20725533) is 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal.
What is the SMILES notation for 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal?
The canonical SMILES for 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal is CN1C(=O)N(CCC=O)C(=O)C1(C)C.
What is the InChIKey of 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal?
The InChIKey is RNAYIXVNDWDLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-9(2)7(13)11(5-4-6-12)8(14)10(9)3/h6H,4-5H2,1-3H3.
What are the key properties of 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal?
3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal has a molecular weight of 198.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanal is sourced from PubChem (CID 20725533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).