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

C8H12N2O3 — CID 63040568

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal
SMILESCC1(C)NC(=O)N(CCC=O)C1=O
InChIInChI=1S/C8H12N2O3/c1-8(2)6(12)10(4-3-5-11)7(13)9-8/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeyVDVBQWNROXGVFB-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.09
Rot. Bonds3

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

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal (PubChem CID 63040568) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal
PubChem CID63040568
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal
SMILESCC1(C)NC(=O)N(CCC=O)C1=O
InChIInChI=1S/C8H12N2O3/c1-8(2)6(12)10(4-3-5-11)7(13)9-8/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeyVDVBQWNROXGVFB-UHFFFAOYSA-N
XLogP-0.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.09
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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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal (CID 63040568) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal is CC1(C)NC(=O)N(CCC=O)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal?
The InChIKey is VDVBQWNROXGVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(2)6(12)10(4-3-5-11)7(13)9-8/h5H,3-4H2,1-2H3,(H,9,13).
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal has a molecular weight of 184.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal is sourced from PubChem (CID 63040568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).