(4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one

C13H18N2O2 — CID 178002454

IUPAC(4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one
SMILESC=C/C=c1/[nH]c(=O)n(C2CCOCC2)/c1=C/C
InChIInChI=1S/C13H18N2O2/c1-3-5-11-12(4-2)15(13(16)14-11)10-6-8-17-9-7-10/h3-5,10H,1,6-9H2,2H3,(H,14,16)/b11-5+,12-4+
InChIKeyKJNHHHRIVICTNC-TZBUTISVSA-N
MW234.30 g/mol
LogP0.29
Rot. Bonds2

About (4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one

(4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one (PubChem CID 178002454) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one
PubChem CID178002454
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one
SMILESC=C/C=c1/[nH]c(=O)n(C2CCOCC2)/c1=C/C
InChIInChI=1S/C13H18N2O2/c1-3-5-11-12(4-2)15(13(16)14-11)10-6-8-17-9-7-10/h3-5,10H,1,6-9H2,2H3,(H,14,16)/b11-5+,12-4+
InChIKeyKJNHHHRIVICTNC-TZBUTISVSA-N
XLogP0.29
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one?
The IUPAC name of (4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one (CID 178002454) is (4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one.
What is the SMILES notation for (4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one?
The canonical SMILES for (4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one is C=C/C=c1/[nH]c(=O)n(C2CCOCC2)/c1=C/C.
What is the InChIKey of (4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one?
The InChIKey is KJNHHHRIVICTNC-TZBUTISVSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-5-11-12(4-2)15(13(16)14-11)10-6-8-17-9-7-10/h3-5,10H,1,6-9H2,2H3,(H,14,16)/b11-5+,12-4+.
What are the key properties of (4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one?
(4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-1-(oxan-4-yl)-4-prop-2-enylideneimidazolidin-2-one is sourced from PubChem (CID 178002454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).