(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one

C14H15N3O3 — CID 135907689

IUPAC(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one
SMILESCC/N=C1/N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1C
InChIInChI=1S/C14H15N3O3/c1-3-15-14-16-10(13(18)17(14)2)6-9-4-5-11-12(7-9)20-8-19-11/h4-7H,3,8H2,1-2H3,(H,15,16)/b10-6+
InChIKeyOQZNCAIFCVGTSZ-UXBLZVDNSA-N
MW273.29 g/mol
LogP1.19
Rot. Bonds2

About (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one

(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one (PubChem CID 135907689) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one
PubChem CID135907689
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one
SMILESCC/N=C1/N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1C
InChIInChI=1S/C14H15N3O3/c1-3-15-14-16-10(13(18)17(14)2)6-9-4-5-11-12(7-9)20-8-19-11/h4-7H,3,8H2,1-2H3,(H,15,16)/b10-6+
InChIKeyOQZNCAIFCVGTSZ-UXBLZVDNSA-N
XLogP1.19
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 87468954
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-[2-[(4-nitrophenyl)methylamino]ethylimino]imidazolidin-4-one
CID 135860198
5-(1,3-benzodioxol-5-ylmethylidene)-1-methyl-1,3-diazinane-2,4,6-trione
CID 703523
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 5427016
(5E)-5-[[3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxyphenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 19288047
5-(1,3-benzodioxol-5-ylmethylidene)-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 839150
(5Z)-3-butyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 98630929
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-benzyl-2-sulfanylideneimidazolidin-4-one
CID 10980664
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 745585
5-(1,3-benzodioxol-5-ylmethylidene)-2-imino-1-methylimidazolidin-4-one
CID 162938933
(3Z,5Z)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methylpiperidin-4-one
CID 17368284
5-(1,3-benzodioxol-5-ylmethylidene)-2-imino-3-methyl-1,3-thiazolidin-4-one
CID 2860280

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one?
The IUPAC name of (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one (CID 135907689) is (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one.
What is the SMILES notation for (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one?
The canonical SMILES for (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one is CC/N=C1/N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1C.
What is the InChIKey of (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one?
The InChIKey is OQZNCAIFCVGTSZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-15-14-16-10(13(18)17(14)2)6-9-4-5-11-12(7-9)20-8-19-11/h4-7H,3,8H2,1-2H3,(H,15,16)/b10-6+.
What are the key properties of (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one?
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one has a molecular weight of 273.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-ethylimino-3-methylimidazolidin-4-one is sourced from PubChem (CID 135907689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).