3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione

C11H12N2O2 — CID 143185529

IUPAC3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione
SMILESCC1=CC=C(N2C(=O)CNC2=O)C=CC1
InChIInChI=1S/C11H12N2O2/c1-8-3-2-4-9(6-5-8)13-10(14)7-12-11(13)15/h2,4-6H,3,7H2,1H3,(H,12,15)
InChIKeyJIKYYAXWPHETDP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.33
Rot. Bonds1

About 3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione

3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione (PubChem CID 143185529) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione
PubChem CID143185529
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione
SMILESCC1=CC=C(N2C(=O)CNC2=O)C=CC1
InChIInChI=1S/C11H12N2O2/c1-8-3-2-4-9(6-5-8)13-10(14)7-12-11(13)15/h2,4-6H,3,7H2,1H3,(H,12,15)
InChIKeyJIKYYAXWPHETDP-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione (CID 143185529) is 3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione is CC1=CC=C(N2C(=O)CNC2=O)C=CC1.
What is the InChIKey of 3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione?
The InChIKey is JIKYYAXWPHETDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-3-2-4-9(6-5-8)13-10(14)7-12-11(13)15/h2,4-6H,3,7H2,1H3,(H,12,15).
What are the key properties of 3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione?
3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione has a molecular weight of 204.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohepta-1,3,6-trien-1-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 143185529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).