3-pent-4-en-2-ylimidazolidine-2,4-dione

C8H12N2O2 — CID 103936497

IUPAC3-pent-4-en-2-ylimidazolidine-2,4-dione
SMILESC=CCC(C)N1C(=O)CNC1=O
InChIInChI=1S/C8H12N2O2/c1-3-4-6(2)10-7(11)5-9-8(10)12/h3,6H,1,4-5H2,2H3,(H,9,12)
InChIKeyCVBFATONLGCVRZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.50
Rot. Bonds3

About 3-pent-4-en-2-ylimidazolidine-2,4-dione

3-pent-4-en-2-ylimidazolidine-2,4-dione (PubChem CID 103936497) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-pent-4-en-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-pent-4-en-2-ylimidazolidine-2,4-dione
PubChem CID103936497
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-pent-4-en-2-ylimidazolidine-2,4-dione
SMILESC=CCC(C)N1C(=O)CNC1=O
InChIInChI=1S/C8H12N2O2/c1-3-4-6(2)10-7(11)5-9-8(10)12/h3,6H,1,4-5H2,2H3,(H,9,12)
InChIKeyCVBFATONLGCVRZ-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione
CID 130635522
3-hexadecan-2-ylimidazolidine-2,4-dione
CID 70547028
2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 22390018
(2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108752
3-(2-hydroxy-2-methylpentan-3-yl)imidazolidine-2,4-dione
CID 130949581
3-(1,3-diaminopropan-2-yl)imidazolidine-2,4-dione
CID 130908924
3-[(2R)-3-methoxybutan-2-yl]imidazolidine-2,4-dione
CID 126986060
1-(2,5-dioxoimidazolidin-1-yl)but-3-enyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88791160
3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione
CID 107861614
3-[(2S)-2,3,3-trimethylbutyl]imidazolidine-2,4-dione
CID 149004673
deuterium monohydride;2-methylidene-3-propan-2-ylimidazolidin-4-one
CID 159139539
3-(1-hydroxypentan-3-yl)imidazolidine-2,4-dione
CID 103936477

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-en-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-pent-4-en-2-ylimidazolidine-2,4-dione (CID 103936497) is 3-pent-4-en-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-pent-4-en-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-pent-4-en-2-ylimidazolidine-2,4-dione is C=CCC(C)N1C(=O)CNC1=O.
What is the InChIKey of 3-pent-4-en-2-ylimidazolidine-2,4-dione?
The InChIKey is CVBFATONLGCVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-4-6(2)10-7(11)5-9-8(10)12/h3,6H,1,4-5H2,2H3,(H,9,12).
What are the key properties of 3-pent-4-en-2-ylimidazolidine-2,4-dione?
3-pent-4-en-2-ylimidazolidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-en-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 103936497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).