5-hexa-2,4-dienylideneimidazolidine-2,4-dione

C9H10N2O2 — CID 88804732

IUPAC5-hexa-2,4-dienylideneimidazolidine-2,4-dione
SMILESCC=CC=CC=C1NC(=O)NC1=O
InChIInChI=1S/C9H10N2O2/c1-2-3-4-5-6-7-8(12)11-9(13)10-7/h2-6H,1H3,(H2,10,11,12,13)
InChIKeyLICIEVSLRCVJGE-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.84
Rot. Bonds2

About 5-hexa-2,4-dienylideneimidazolidine-2,4-dione

5-hexa-2,4-dienylideneimidazolidine-2,4-dione (PubChem CID 88804732) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-hexa-2,4-dienylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-hexa-2,4-dienylideneimidazolidine-2,4-dione
PubChem CID88804732
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-hexa-2,4-dienylideneimidazolidine-2,4-dione
SMILESCC=CC=CC=C1NC(=O)NC1=O
InChIInChI=1S/C9H10N2O2/c1-2-3-4-5-6-7-8(12)11-9(13)10-7/h2-6H,1H3,(H2,10,11,12,13)
InChIKeyLICIEVSLRCVJGE-UHFFFAOYSA-N
XLogP0.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hexa-2,4-dienylideneimidazolidine-2,4-dione?
The IUPAC name of 5-hexa-2,4-dienylideneimidazolidine-2,4-dione (CID 88804732) is 5-hexa-2,4-dienylideneimidazolidine-2,4-dione.
What is the SMILES notation for 5-hexa-2,4-dienylideneimidazolidine-2,4-dione?
The canonical SMILES for 5-hexa-2,4-dienylideneimidazolidine-2,4-dione is CC=CC=CC=C1NC(=O)NC1=O.
What is the InChIKey of 5-hexa-2,4-dienylideneimidazolidine-2,4-dione?
The InChIKey is LICIEVSLRCVJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-3-4-5-6-7-8(12)11-9(13)10-7/h2-6H,1H3,(H2,10,11,12,13).
What are the key properties of 5-hexa-2,4-dienylideneimidazolidine-2,4-dione?
5-hexa-2,4-dienylideneimidazolidine-2,4-dione has a molecular weight of 178.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexa-2,4-dienylideneimidazolidine-2,4-dione is sourced from PubChem (CID 88804732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).