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

C9H12N2O2 — CID 23471295

IUPAC1,3-bis(prop-2-enyl)imidazolidine-2,4-dione
SMILESC=CCN1CC(=O)N(CC=C)C1=O
InChIInChI=1S/C9H12N2O2/c1-3-5-10-7-8(12)11(6-4-2)9(10)13/h3-4H,1-2,5-7H2
InChIKeyCHNSTEICQGCILT-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.62
Rot. Bonds4

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

1,3-bis(prop-2-enyl)imidazolidine-2,4-dione (PubChem CID 23471295) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)imidazolidine-2,4-dione
PubChem CID23471295
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1,3-bis(prop-2-enyl)imidazolidine-2,4-dione
SMILESC=CCN1CC(=O)N(CC=C)C1=O
InChIInChI=1S/C9H12N2O2/c1-3-5-10-7-8(12)11(6-4-2)9(10)13/h3-4H,1-2,5-7H2
InChIKeyCHNSTEICQGCILT-UHFFFAOYSA-N
XLogP0.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.62
H-Bond Donors ≤ 50
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 1,3-bis(prop-2-enyl)imidazolidine-2,4-dione?
The IUPAC name of 1,3-bis(prop-2-enyl)imidazolidine-2,4-dione (CID 23471295) is 1,3-bis(prop-2-enyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis(prop-2-enyl)imidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis(prop-2-enyl)imidazolidine-2,4-dione is C=CCN1CC(=O)N(CC=C)C1=O.
What is the InChIKey of 1,3-bis(prop-2-enyl)imidazolidine-2,4-dione?
The InChIKey is CHNSTEICQGCILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-5-10-7-8(12)11(6-4-2)9(10)13/h3-4H,1-2,5-7H2.
What are the key properties of 1,3-bis(prop-2-enyl)imidazolidine-2,4-dione?
1,3-bis(prop-2-enyl)imidazolidine-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)imidazolidine-2,4-dione is sourced from PubChem (CID 23471295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).