3,4-dihydro-1,2-benzodioxine-4-carbohydrazide

C9H10N2O3 — CID 174268779

IUPAC3,4-dihydro-1,2-benzodioxine-4-carbohydrazide
SMILESNNC(=O)C1COOc2ccccc21
InChIInChI=1S/C9H10N2O3/c10-11-9(12)7-5-13-14-8-4-2-1-3-6(7)8/h1-4,7H,5,10H2,(H,11,12)
InChIKeyIWJUPZNIMOJRAY-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.08
Rot. Bonds1

About 3,4-dihydro-1,2-benzodioxine-4-carbohydrazide

3,4-dihydro-1,2-benzodioxine-4-carbohydrazide (PubChem CID 174268779) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3,4-dihydro-1,2-benzodioxine-4-carbohydrazide.

Molecular Properties

Compound Name3,4-dihydro-1,2-benzodioxine-4-carbohydrazide
PubChem CID174268779
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3,4-dihydro-1,2-benzodioxine-4-carbohydrazide
SMILESNNC(=O)C1COOc2ccccc21
InChIInChI=1S/C9H10N2O3/c10-11-9(12)7-5-13-14-8-4-2-1-3-6(7)8/h1-4,7H,5,10H2,(H,11,12)
InChIKeyIWJUPZNIMOJRAY-UHFFFAOYSA-N
XLogP0.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3,4-dihydro-1,2-benzodioxine
CID 54240008
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
N-(2-amino-2-hydroxyiminoethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020893
1-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124636976
N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80697516
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 79767886
(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124734322
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103840148
N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 113262838
N-cyclohexyl-9H-xanthene-9-carboxamide
CID 718107

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1,2-benzodioxine-4-carbohydrazide?
The IUPAC name of 3,4-dihydro-1,2-benzodioxine-4-carbohydrazide (CID 174268779) is 3,4-dihydro-1,2-benzodioxine-4-carbohydrazide.
What is the SMILES notation for 3,4-dihydro-1,2-benzodioxine-4-carbohydrazide?
The canonical SMILES for 3,4-dihydro-1,2-benzodioxine-4-carbohydrazide is NNC(=O)C1COOc2ccccc21.
What is the InChIKey of 3,4-dihydro-1,2-benzodioxine-4-carbohydrazide?
The InChIKey is IWJUPZNIMOJRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-11-9(12)7-5-13-14-8-4-2-1-3-6(7)8/h1-4,7H,5,10H2,(H,11,12).
What are the key properties of 3,4-dihydro-1,2-benzodioxine-4-carbohydrazide?
3,4-dihydro-1,2-benzodioxine-4-carbohydrazide has a molecular weight of 194.19 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1,2-benzodioxine-4-carbohydrazide is sourced from PubChem (CID 174268779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).