1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea

C8H14N2O3 — CID 131155737

IUPAC1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea
SMILESCCNC(=O)NCC1=COCCO1
InChIInChI=1S/C8H14N2O3/c1-2-9-8(11)10-5-7-6-12-3-4-13-7/h6H,2-5H2,1H3,(H2,9,10,11)
InChIKeyGQTGSJBSUJYXKD-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.19
Rot. Bonds3

About 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea

1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea (PubChem CID 131155737) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea
PubChem CID131155737
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea
SMILESCCNC(=O)NCC1=COCCO1
InChIInChI=1S/C8H14N2O3/c1-2-9-8(11)10-5-7-6-12-3-4-13-7/h6H,2-5H2,1H3,(H2,9,10,11)
InChIKeyGQTGSJBSUJYXKD-UHFFFAOYSA-N
XLogP0.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea?
The IUPAC name of 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea (CID 131155737) is 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea?
The canonical SMILES for 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea is CCNC(=O)NCC1=COCCO1.
What is the InChIKey of 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea?
The InChIKey is GQTGSJBSUJYXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-9-8(11)10-5-7-6-12-3-4-13-7/h6H,2-5H2,1H3,(H2,9,10,11).
What are the key properties of 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea?
1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea has a molecular weight of 186.21 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-ethylurea is sourced from PubChem (CID 131155737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).