N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide

C9H9N3O4 — CID 4774594

IUPACN-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
SMILESNNC(=O)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C9H9N3O4/c10-12-9(14)8(13)11-5-1-2-6-7(3-5)16-4-15-6/h1-3H,4,10H2,(H,11,13)(H,12,14)
InChIKeyAYYFRBPVEVPCIA-UHFFFAOYSA-N
MW223.19 g/mol
LogP-0.66
Rot. Bonds1

About N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide

N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide (PubChem CID 4774594) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
PubChem CID4774594
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
SMILESNNC(=O)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C9H9N3O4/c10-12-9(14)8(13)11-5-1-2-6-7(3-5)16-4-15-6/h1-3H,4,10H2,(H,11,13)(H,12,14)
InChIKeyAYYFRBPVEVPCIA-UHFFFAOYSA-N
XLogP-0.66
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-yl)-N'-(3,5-dichlorophenyl)oxamide
CID 108531049
N'-(1,3-benzodioxol-5-yl)-N-[4-(diethylamino)phenyl]oxamide
CID 108530599
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(1,3-benzodioxol-5-yl)-N'-(1,3-benzodioxol-5-ylmethylideneamino)oxamide
CID 3937826
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
N'-(1,3-benzodioxol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 2880292
N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide
CID 3156756
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
CID 107980044
N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide
CID 108531851
N-(1,3-benzodioxol-5-yl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516432

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide (CID 4774594) is N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide is NNC(=O)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide?
The InChIKey is AYYFRBPVEVPCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c10-12-9(14)8(13)11-5-1-2-6-7(3-5)16-4-15-6/h1-3H,4,10H2,(H,11,13)(H,12,14).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide?
N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide has a molecular weight of 223.19 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 4774594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).