1,4-dioxane;ethyl carbamate;urea

C8H19N3O5 — CID 175495068

IUPAC1,4-dioxane;ethyl carbamate;urea
SMILESC1COCCO1.CCOC(N)=O.NC(N)=O
InChIInChI=1S/C4H8O2.C3H7NO2.CH4N2O/c1-2-6-4-3-5-1;1-2-6-3(4)5;2-1(3)4/h1-4H2;2H2,1H3,(H2,4,5);(H4,2,3,4)
InChIKeyDAIACFXUMUEWAY-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.84
Rot. Bonds1

About 1,4-dioxane;ethyl carbamate;urea

1,4-dioxane;ethyl carbamate;urea (PubChem CID 175495068) has the molecular formula C8H19N3O5 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1,4-dioxane;ethyl carbamate;urea.

Molecular Properties

Compound Name1,4-dioxane;ethyl carbamate;urea
PubChem CID175495068
Molecular FormulaC8H19N3O5
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1,4-dioxane;ethyl carbamate;urea
SMILESC1COCCO1.CCOC(N)=O.NC(N)=O
InChIInChI=1S/C4H8O2.C3H7NO2.CH4N2O/c1-2-6-4-3-5-1;1-2-6-3(4)5;2-1(3)4/h1-4H2;2H2,1H3,(H2,4,5);(H4,2,3,4)
InChIKeyDAIACFXUMUEWAY-UHFFFAOYSA-N
XLogP-0.84
TPSA139.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;ethyl carbamate;urea?
The IUPAC name of 1,4-dioxane;ethyl carbamate;urea (CID 175495068) is 1,4-dioxane;ethyl carbamate;urea.
What is the SMILES notation for 1,4-dioxane;ethyl carbamate;urea?
The canonical SMILES for 1,4-dioxane;ethyl carbamate;urea is C1COCCO1.CCOC(N)=O.NC(N)=O.
What is the InChIKey of 1,4-dioxane;ethyl carbamate;urea?
The InChIKey is DAIACFXUMUEWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H7NO2.CH4N2O/c1-2-6-4-3-5-1;1-2-6-3(4)5;2-1(3)4/h1-4H2;2H2,1H3,(H2,4,5);(H4,2,3,4).
What are the key properties of 1,4-dioxane;ethyl carbamate;urea?
1,4-dioxane;ethyl carbamate;urea has a molecular weight of 237.26 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;ethyl carbamate;urea is sourced from PubChem (CID 175495068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).