1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione

C9H10N2O3 — CID 121407431

IUPAC1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(CC=C)C1=O
InChIInChI=1S/C9H10N2O3/c1-3-5-10-7(12)8(13)11(6-4-2)9(10)14/h3-4H,1-2,5-6H2
InChIKeyHSXAJNOCUQVCIM-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.15
Rot. Bonds4

About 1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione

1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione (PubChem CID 121407431) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione
PubChem CID121407431
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(CC=C)C1=O
InChIInChI=1S/C9H10N2O3/c1-3-5-10-7(12)8(13)11(6-4-2)9(10)14/h3-4H,1-2,5-6H2
InChIKeyHSXAJNOCUQVCIM-UHFFFAOYSA-N
XLogP0.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Prop-2-en-1-yl)imidazolidine-2,4-dione
CID 22020924
1,3-Bis(2-methylprop-2-enyl)-1,3-diazolidine-2,4,5-trione
CID 1908371
1-(Prop-2-en-1-yl)imidazolidine-2,4,5-trione
CID 2110938
3-(Prop-2-en-1-yl)imidazolidine-2,4-dione
CID 330948
1-Acetyl-3-prop-2-enylimidazolidin-2-one
CID 164673671
3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
CID 3024866
1-(2,2-Difluoroethyl)-3-prop-2-enylimidazolidine-2,4,5-trione
CID 86794482
1-Prop-2-enyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 116013167
1-Prop-2-enoyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 132396354
Imidazolidinetrione, methyl-2-propenyl-
CID 558016
1,3-Diallyl-5,5-dimethylhydantoin
CID 920029
1-Propan-2-yl-3-prop-2-enoylimidazolidin-2-one
CID 11665505

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione (CID 121407431) is 1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione is C=CCN1C(=O)C(=O)N(CC=C)C1=O.
What is the InChIKey of 1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione?
The InChIKey is HSXAJNOCUQVCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-3-5-10-7(12)8(13)11(6-4-2)9(10)14/h3-4H,1-2,5-6H2.
What are the key properties of 1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione?
1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione has a molecular weight of 194.19 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 121407431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).