N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

C12H14N2O5 — CID 47129790

IUPACN'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESCOCC(=O)NNC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H14N2O5/c1-17-7-11(15)13-14-12(16)8-2-3-9-10(6-8)19-5-4-18-9/h2-3,6H,4-5,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyLPJBKUWWURFKMZ-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.13
Rot. Bonds3

About N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (PubChem CID 47129790) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
PubChem CID47129790
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC NameN'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESCOCC(=O)NNC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H14N2O5/c1-17-7-11(15)13-14-12(16)8-2-3-9-10(6-8)19-5-4-18-9/h2-3,6H,4-5,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyLPJBKUWWURFKMZ-UHFFFAOYSA-N
XLogP-0.13
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2476387
N'-[2-(4-phenylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2094448
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 24543065
N'-[2-(4-chlorophenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 31727289
N'-[2-(4-butylphenyl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55454332
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-one
CID 62789419
N'-(3,5-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275269
N'-[4-(4-methylphenyl)butanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55772952
N'-(3-fluoro-4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275429
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide
CID 31308040
methyl (2R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)propanoate
CID 113257882

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The IUPAC name of N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (CID 47129790) is N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.
What is the SMILES notation for N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The canonical SMILES for N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is COCC(=O)NNC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The InChIKey is LPJBKUWWURFKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-17-7-11(15)13-14-12(16)8-2-3-9-10(6-8)19-5-4-18-9/h2-3,6H,4-5,7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide has a molecular weight of 266.25 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyacetyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is sourced from PubChem (CID 47129790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).