N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide

C6H11N3O2 — CID 88527441

IUPACN-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide
SMILESC/C=C/CNC(=O)C(=O)NN
InChIInChI=1S/C6H11N3O2/c1-2-3-4-8-5(10)6(11)9-7/h2-3H,4,7H2,1H3,(H,8,10)(H,9,11)/b3-2+
InChIKeyROZKWACKVBNTRR-NSCUHMNNSA-N
MW157.17 g/mol
LogP-1.33
Rot. Bonds2

About N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide

N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide (PubChem CID 88527441) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide
PubChem CID88527441
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC NameN-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide
SMILESC/C=C/CNC(=O)C(=O)NN
InChIInChI=1S/C6H11N3O2/c1-2-3-4-8-5(10)6(11)9-7/h2-3H,4,7H2,1H3,(H,8,10)(H,9,11)/b3-2+
InChIKeyROZKWACKVBNTRR-NSCUHMNNSA-N
XLogP-1.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Analyze N-[(E)-but-2-enyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide (CID 88527441) is N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide is C/C=C/CNC(=O)C(=O)NN.
What is the InChIKey of N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide?
The InChIKey is ROZKWACKVBNTRR-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-2-3-4-8-5(10)6(11)9-7/h2-3H,4,7H2,1H3,(H,8,10)(H,9,11)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide?
N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide has a molecular weight of 157.17 g/mol, XLogP of -1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 88527441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).