3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione

C10H12N2O2 — CID 89282776

IUPAC3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione
SMILESCC1=CCC(N2C(=O)CNC2=O)C=C1
InChIInChI=1S/C10H12N2O2/c1-7-2-4-8(5-3-7)12-9(13)6-11-10(12)14/h2-4,8H,5-6H2,1H3,(H,11,14)
InChIKeyTUBYIPRKACSPLV-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.81
Rot. Bonds1

About 3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione

3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione (PubChem CID 89282776) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione
PubChem CID89282776
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione
SMILESCC1=CCC(N2C(=O)CNC2=O)C=C1
InChIInChI=1S/C10H12N2O2/c1-7-2-4-8(5-3-7)12-9(13)6-11-10(12)14/h2-4,8H,5-6H2,1H3,(H,11,14)
InChIKeyTUBYIPRKACSPLV-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.81
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-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione (CID 89282776) is 3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione is CC1=CCC(N2C(=O)CNC2=O)C=C1.
What is the InChIKey of 3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione?
The InChIKey is TUBYIPRKACSPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-4-8(5-3-7)12-9(13)6-11-10(12)14/h2-4,8H,5-6H2,1H3,(H,11,14).
What are the key properties of 3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione?
3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione has a molecular weight of 192.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 89282776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).