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

C12H14N2O2 — CID 174309203

IUPAC1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione
SMILESCC1(C)C=CC=CC(N2CC(=O)NC2=O)=C1
InChIInChI=1S/C12H14N2O2/c1-12(2)6-4-3-5-9(7-12)14-8-10(15)13-11(14)16/h3-7H,8H2,1-2H3,(H,13,15,16)
InChIKeyQJVYYILUHKSBFR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.57
Rot. Bonds1

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

1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione (PubChem CID 174309203) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione
PubChem CID174309203
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione
SMILESCC1(C)C=CC=CC(N2CC(=O)NC2=O)=C1
InChIInChI=1S/C12H14N2O2/c1-12(2)6-4-3-5-9(7-12)14-8-10(15)13-11(14)16/h3-7H,8H2,1-2H3,(H,13,15,16)
InChIKeyQJVYYILUHKSBFR-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.57
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 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione?
The IUPAC name of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione (CID 174309203) is 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione is CC1(C)C=CC=CC(N2CC(=O)NC2=O)=C1.
What is the InChIKey of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione?
The InChIKey is QJVYYILUHKSBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2)6-4-3-5-9(7-12)14-8-10(15)13-11(14)16/h3-7H,8H2,1-2H3,(H,13,15,16).
What are the key properties of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione?
1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione has a molecular weight of 218.26 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 174309203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).