(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea

C10H11N3O4 — CID 60704410

IUPAC(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
SMILESNC(=O)NNC(=O)C1COc2ccccc2O1
InChIInChI=1S/C10H11N3O4/c11-10(15)13-12-9(14)8-5-16-6-3-1-2-4-7(6)17-8/h1-4,8H,5H2,(H,12,14)(H3,11,13,15)
InChIKeyNUPSDRLVUVFWIC-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.47
Rot. Bonds1

About (2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea

(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea (PubChem CID 60704410) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is (2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea.

Molecular Properties

Compound Name(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
PubChem CID60704410
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
SMILESNC(=O)NNC(=O)C1COc2ccccc2O1
InChIInChI=1S/C10H11N3O4/c11-10(15)13-12-9(14)8-5-16-6-3-1-2-4-7(6)17-8/h1-4,8H,5H2,(H,12,14)(H3,11,13,15)
InChIKeyNUPSDRLVUVFWIC-UHFFFAOYSA-N
XLogP-0.47
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95354893
(3S)-N'-prop-1-en-2-yl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2367871
[(2S)-1-[2-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 7999028
potassium N-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamodithioate
CID 23710046
(3R)-N'-(2-ethylbutanoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 51968519
(3R)-N'-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 29446706
(3S)-N'-[(3S,4aR,8aR)-2,3,4a,8a-tetrahydro-1,4-benzodioxine-3-carbonyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7530206
N'-(2-cyclohexylideneacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 60574660
[2-[2-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate
CID 8759309
N'-(3,4-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 78803520
(3R)-N'-(2-naphthalen-1-ylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2426915
(3S)-N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 26799774

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea?
The IUPAC name of (2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea (CID 60704410) is (2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea.
What is the SMILES notation for (2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea?
The canonical SMILES for (2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea is NC(=O)NNC(=O)C1COc2ccccc2O1.
What is the InChIKey of (2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea?
The InChIKey is NUPSDRLVUVFWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c11-10(15)13-12-9(14)8-5-16-6-3-1-2-4-7(6)17-8/h1-4,8H,5H2,(H,12,14)(H3,11,13,15).
What are the key properties of (2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea?
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea has a molecular weight of 237.22 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea is sourced from PubChem (CID 60704410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).