5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione

C8H12N2O2 — CID 59116103

IUPAC5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C8H12N2O2/c1-4-5-10-7(12)9-6(11)8(10,2)3/h4H,1,5H2,2-3H3,(H,9,11,12)
InChIKeyREQNICNNSJUJSO-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.50
Rot. Bonds2

About 5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione

5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione (PubChem CID 59116103) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione
PubChem CID59116103
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C8H12N2O2/c1-4-5-10-7(12)9-6(11)8(10,2)3/h4H,1,5H2,2-3H3,(H,9,11,12)
InChIKeyREQNICNNSJUJSO-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione (CID 59116103) is 5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)NC(=O)C1(C)C.
What is the InChIKey of 5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is REQNICNNSJUJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-5-10-7(12)9-6(11)8(10,2)3/h4H,1,5H2,2-3H3,(H,9,11,12).
What are the key properties of 5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione?
5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 59116103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).