N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

C17H14N2O6 — CID 9401431

IUPACN'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H14N2O6/c20-16(10-1-3-12-14(7-10)23-6-5-22-12)18-19-17(21)11-2-4-13-15(8-11)25-9-24-13/h1-4,7-8H,5-6,9H2,(H,18,20)(H,19,21)
InChIKeyOEBVILYDYJNJRA-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.26
Rot. Bonds2

About N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (PubChem CID 9401431) has the molecular formula C17H14N2O6 and a molecular weight of 342.31 g/mol. Its IUPAC name is N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
PubChem CID9401431
Molecular FormulaC17H14N2O6
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC NameN'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H14N2O6/c20-16(10-1-3-12-14(7-10)23-6-5-22-12)18-19-17(21)11-2-4-13-15(8-11)25-9-24-13/h1-4,7-8H,5-6,9H2,(H,18,20)(H,19,21)
InChIKeyOEBVILYDYJNJRA-UHFFFAOYSA-N
XLogP1.26
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1,3-benzodioxole-5-carbonylamino)thiourea
CID 12654315
N'-(3,5-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275269
N'-(3-fluoro-4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275429
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205
N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 47129790
N'-(2-chloro-4,5-difluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 8890859
N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 31727289
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109
N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide
CID 123140654
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2476387
N'-(4-bromo-2-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275432
N'-(1,3-benzodioxole-5-carbonyl)pyrazine-2-carbohydrazide
CID 17388270

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (CID 9401431) is N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.
What is the SMILES notation for N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The canonical SMILES for N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2.
What is the InChIKey of N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The InChIKey is OEBVILYDYJNJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6/c20-16(10-1-3-12-14(7-10)23-6-5-22-12)18-19-17(21)11-2-4-13-15(8-11)25-9-24-13/h1-4,7-8H,5-6,9H2,(H,18,20)(H,19,21).
What are the key properties of N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide has a molecular weight of 342.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is sourced from PubChem (CID 9401431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).