N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide

C13H12N2O5 — CID 177278517

IUPACN-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(c3c1C(=O)C(=NO)CC3)OCO2
InChIInChI=1S/C13H12N2O5/c1-6(16)14-9-4-10-13(20-5-19-10)7-2-3-8(15-18)12(17)11(7)9/h4,18H,2-3,5H2,1H3,(H,14,16)
InChIKeyLZRXJNZPXNQKRM-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.33
Rot. Bonds1

About N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide

N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide (PubChem CID 177278517) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide.

Molecular Properties

Compound NameN-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide
PubChem CID177278517
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC NameN-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(c3c1C(=O)C(=NO)CC3)OCO2
InChIInChI=1S/C13H12N2O5/c1-6(16)14-9-4-10-13(20-5-19-10)7-2-3-8(15-18)12(17)11(7)9/h4,18H,2-3,5H2,1H3,(H,14,16)
InChIKeyLZRXJNZPXNQKRM-UHFFFAOYSA-N
XLogP1.33
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-oxo-7,8-dihydrocyclopenta[g][1,3]benzodioxol-5-yl)acetamide
CID 166490529
N-(7-methyl-1,3-benzodioxol-5-yl)acetamide
CID 59429949
N-[7-methoxy-6-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-1,3-benzodioxol-5-yl]acetamide
CID 15986589
N-[(3S,7R,9S)-5,19-dimethoxy-6-oxo-15,17-dioxapentacyclo[10.7.0.02,8.03,7.014,18]nonadeca-1(19),2(8),4,12,14(18)-pentaen-9-yl]acetamide
CID 162955106
N-(7-formyl-1,3-benzodioxol-5-yl)acetamide
CID 84779325
dimethyl (12S,13S)-3,22-dimethoxy-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene-12,13-dicarboxylate
CID 134831926
N-(6-formyl-5-methoxy-1,3-benzodioxol-4-yl)acetamide
CID 84798418
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 47099404
N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide
CID 24668298
7-chloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 9427980
1-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethanone
CID 84666658
N-(6-chloro-1,3-benzodioxol-5-yl)-2,2-dimethylpropanamide
CID 60699580

Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide?
The IUPAC name of N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide (CID 177278517) is N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide.
What is the SMILES notation for N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide?
The canonical SMILES for N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide is CC(=O)Nc1cc2c(c3c1C(=O)C(=NO)CC3)OCO2.
What is the InChIKey of N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide?
The InChIKey is LZRXJNZPXNQKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-6(16)14-9-4-10-13(20-5-19-10)7-2-3-8(15-18)12(17)11(7)9/h4,18H,2-3,5H2,1H3,(H,14,16).
What are the key properties of N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide?
N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide has a molecular weight of 276.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxyimino-6-oxo-8,9-dihydrobenzo[g][1,3]benzodioxol-5-yl)acetamide is sourced from PubChem (CID 177278517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).