2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine

C9H11N3O3 — CID 62481468

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine
SMILESN/C(=N\c1ccc2c(c1)OCCO2)NO
InChIInChI=1S/C9H11N3O3/c10-9(12-13)11-6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5,13H,3-4H2,(H3,10,11,12)
InChIKeyYXLCPLKLRDZEPT-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.38
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine (PubChem CID 62481468) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine
PubChem CID62481468
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine
SMILESN/C(=N\c1ccc2c(c1)OCCO2)NO
InChIInChI=1S/C9H11N3O3/c10-9(12-13)11-6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5,13H,3-4H2,(H3,10,11,12)
InChIKeyYXLCPLKLRDZEPT-UHFFFAOYSA-N
XLogP0.38
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidoyl]sulfanylmethyl]benzoate
CID 8902849
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
4-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yldiazenyl)phenol
CID 135528685
N'-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-3-oxopropanimidamide
CID 58608744
N'-(1,3-benzodioxol-5-yl)cyclohexanecarboximidamide
CID 55160730
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethylguanidine
CID 62363493
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarbothioamide
CID 4029467
2-[4-[2-[4-[[amino-(hydroxyamino)methylidene]amino]phenyl]ethyl]phenyl]-1-hydroxyguanidine;hydrochloride
CID 71717582
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine
CID 3146849
[(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea
CID 5413777
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 47005588
7-isocyanato-3,4-dihydro-2H-1,5-benzodioxepine
CID 2776391

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine (CID 62481468) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine is N/C(=N\c1ccc2c(c1)OCCO2)NO.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine?
The InChIKey is YXLCPLKLRDZEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-9(12-13)11-6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5,13H,3-4H2,(H3,10,11,12).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine has a molecular weight of 209.20 g/mol, XLogP of 0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxyguanidine is sourced from PubChem (CID 62481468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).