5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione

C11H12N2O2 — CID 18966549

IUPAC5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione
SMILESC#CCN1C(=O)N(CC#C)C(C)(C)C1=O
InChIInChI=1S/C11H12N2O2/c1-5-7-12-9(14)11(3,4)13(8-6-2)10(12)15/h1-2H,7-8H2,3-4H3
InChIKeySRILTELXUDTWPZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.30
Rot. Bonds2

About 5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione

5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione (PubChem CID 18966549) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione
PubChem CID18966549
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione
SMILESC#CCN1C(=O)N(CC#C)C(C)(C)C1=O
InChIInChI=1S/C11H12N2O2/c1-5-7-12-9(14)11(3,4)13(8-6-2)10(12)15/h1-2H,7-8H2,3-4H3
InChIKeySRILTELXUDTWPZ-UHFFFAOYSA-N
XLogP0.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione (CID 18966549) is 5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione is C#CCN1C(=O)N(CC#C)C(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione?
The InChIKey is SRILTELXUDTWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-5-7-12-9(14)11(3,4)13(8-6-2)10(12)15/h1-2H,7-8H2,3-4H3.
What are the key properties of 5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione?
5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione has a molecular weight of 204.23 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3-bis(prop-2-ynyl)imidazolidine-2,4-dione is sourced from PubChem (CID 18966549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).