2,3-dihydro-1,4-dioxin-5-ylmethylurea

C6H10N2O3 — CID 130620102

IUPAC2,3-dihydro-1,4-dioxin-5-ylmethylurea
SMILESNC(=O)NCC1=COCCO1
InChIInChI=1S/C6H10N2O3/c7-6(9)8-3-5-4-10-1-2-11-5/h4H,1-3H2,(H3,7,8,9)
InChIKeyMCBOQQTXNAJPNE-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.46
Rot. Bonds2

About 2,3-dihydro-1,4-dioxin-5-ylmethylurea

2,3-dihydro-1,4-dioxin-5-ylmethylurea (PubChem CID 130620102) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2,3-dihydro-1,4-dioxin-5-ylmethylurea.

Molecular Properties

Compound Name2,3-dihydro-1,4-dioxin-5-ylmethylurea
PubChem CID130620102
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2,3-dihydro-1,4-dioxin-5-ylmethylurea
SMILESNC(=O)NCC1=COCCO1
InChIInChI=1S/C6H10N2O3/c7-6(9)8-3-5-4-10-1-2-11-5/h4H,1-3H2,(H3,7,8,9)
InChIKeyMCBOQQTXNAJPNE-UHFFFAOYSA-N
XLogP-0.46
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-dioxin-5-ylmethylurea?
The IUPAC name of 2,3-dihydro-1,4-dioxin-5-ylmethylurea (CID 130620102) is 2,3-dihydro-1,4-dioxin-5-ylmethylurea.
What is the SMILES notation for 2,3-dihydro-1,4-dioxin-5-ylmethylurea?
The canonical SMILES for 2,3-dihydro-1,4-dioxin-5-ylmethylurea is NC(=O)NCC1=COCCO1.
What is the InChIKey of 2,3-dihydro-1,4-dioxin-5-ylmethylurea?
The InChIKey is MCBOQQTXNAJPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c7-6(9)8-3-5-4-10-1-2-11-5/h4H,1-3H2,(H3,7,8,9).
What are the key properties of 2,3-dihydro-1,4-dioxin-5-ylmethylurea?
2,3-dihydro-1,4-dioxin-5-ylmethylurea has a molecular weight of 158.16 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-dioxin-5-ylmethylurea is sourced from PubChem (CID 130620102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).