5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione

C12H10N2O4 — CID 4298348

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C12H10N2O4/c15-11-8(13-12(16)14-11)5-7-1-2-9-10(6-7)18-4-3-17-9/h1-2,5-6H,3-4H2,(H2,13,14,15,16)
InChIKeyAYXSDVHIIGYDSE-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.64
Rot. Bonds1

About 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione

5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 4298348) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione
PubChem CID4298348
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc3c(c2)OCCO3)N1
InChIInChI=1S/C12H10N2O4/c15-11-8(13-12(16)14-11)5-7-1-2-9-10(6-7)18-4-3-17-9/h1-2,5-6H,3-4H2,(H2,13,14,15,16)
InChIKeyAYXSDVHIIGYDSE-UHFFFAOYSA-N
XLogP0.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 745585
(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2688418
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione
CID 2337495
(3E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylidene)-5-methyl-1H-indol-2-one
CID 112979062
(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6957475
(3Z,5E)-3,5-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1-methylpiperidin-1-ium-4-one
CID 7789023
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
(5Z)-5-[(4-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697033
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-1H-indol-2-one
CID 964069
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2189796
(5Z)-3-butyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 98630929

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione (CID 4298348) is 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc3c(c2)OCCO3)N1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is AYXSDVHIIGYDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-11-8(13-12(16)14-11)5-7-1-2-9-10(6-7)18-4-3-17-9/h1-2,5-6H,3-4H2,(H2,13,14,15,16).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione?
5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 246.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 4298348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).