3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione

C12H10N2O4 — CID 89140746

IUPAC3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione
SMILESC=C1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C12H10N2O4/c1-7-11(15)14(12(16)13-7)5-8-2-3-9-10(4-8)18-6-17-9/h2-4H,1,5-6H2,(H,13,16)
InChIKeyJKVQOAMNTRPDIT-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.98
Rot. Bonds2

About 3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione

3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione (PubChem CID 89140746) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione
PubChem CID89140746
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione
SMILESC=C1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C12H10N2O4/c1-7-11(15)14(12(16)13-7)5-8-2-3-9-10(4-8)18-6-17-9/h2-4H,1,5-6H2,(H,13,16)
InChIKeyJKVQOAMNTRPDIT-UHFFFAOYSA-N
XLogP0.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzodioxol-5-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277305
(3aS,7aS)-2-(1,3-benzodioxol-5-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51530848
2-(1,3-benzodioxol-5-ylmethyl)-3-iminoisoindol-1-one
CID 175547651
1-(1,3-benzodioxol-5-ylmethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 7887030
2-(1,3-benzodioxol-5-ylmethyl)benzo[de]isoquinoline-1,3-dione
CID 2853218
(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
4-(1,3-benzodioxol-5-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5233992
5-(1,3-benzodioxol-5-ylmethylidene)-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 1356679
1-(1,3-benzodioxol-5-ylmethyl)piperazine-2,5-dione
CID 64955374
3-(1,3-benzodioxol-5-ylmethyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264231
1-(1,3-benzodioxol-5-ylmethyl)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 75572482
7-(1,3-benzodioxol-5-ylmethyl)-6H-[1,3]dioxolo[4,5-g]isoindol-8-one
CID 11849964

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione?
The IUPAC name of 3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione (CID 89140746) is 3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione is C=C1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione?
The InChIKey is JKVQOAMNTRPDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-7-11(15)14(12(16)13-7)5-8-2-3-9-10(4-8)18-6-17-9/h2-4H,1,5-6H2,(H,13,16).
What are the key properties of 3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione?
3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione has a molecular weight of 246.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylmethyl)-5-methylideneimidazolidine-2,4-dione is sourced from PubChem (CID 89140746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).