2,3-dihydro-1,4-benzodioxin-6-ylurea

C9H10N2O3 — CID 3837306

IUPAC2,3-dihydro-1,4-benzodioxin-6-ylurea
SMILESNC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C9H10N2O3/c10-9(12)11-6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5H,3-4H2,(H3,10,11,12)
InChIKeyKMJYTNSDHAFJCK-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.95
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxin-6-ylurea

2,3-dihydro-1,4-benzodioxin-6-ylurea (PubChem CID 3837306) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-ylurea.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-ylurea
PubChem CID3837306
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-ylurea
SMILESNC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C9H10N2O3/c10-9(12)11-6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5H,3-4H2,(H3,10,11,12)
InChIKeyKMJYTNSDHAFJCK-UHFFFAOYSA-N
XLogP0.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.95
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-benzodioxin-6-ylurea?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-ylurea (CID 3837306) is 2,3-dihydro-1,4-benzodioxin-6-ylurea.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-ylurea?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-ylurea is NC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-ylurea?
The InChIKey is KMJYTNSDHAFJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-9(12)11-6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5H,3-4H2,(H3,10,11,12).
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-ylurea?
2,3-dihydro-1,4-benzodioxin-6-ylurea has a molecular weight of 194.19 g/mol, XLogP of 0.95, 1 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-benzodioxin-6-ylurea is sourced from PubChem (CID 3837306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).