N-but-2-enyl-2-hydrazinyl-2-oxoacetamide

C6H11N3O2 — CID 54278312

IUPACN-but-2-enyl-2-hydrazinyl-2-oxoacetamide
SMILESCC=CCNC(=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)
InChIKeyROZKWACKVBNTRR-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.33
Rot. Bonds2

About N-but-2-enyl-2-hydrazinyl-2-oxoacetamide

N-but-2-enyl-2-hydrazinyl-2-oxoacetamide (PubChem CID 54278312) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-but-2-enyl-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-but-2-enyl-2-hydrazinyl-2-oxoacetamide
PubChem CID54278312
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC NameN-but-2-enyl-2-hydrazinyl-2-oxoacetamide
SMILESCC=CCNC(=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)
InChIKeyROZKWACKVBNTRR-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-but-2-enyl-2-hydrazinyl-2-oxoacetamide (CID 54278312) is N-but-2-enyl-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-but-2-enyl-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-but-2-enyl-2-hydrazinyl-2-oxoacetamide is CC=CCNC(=O)C(=O)NN.
What is the InChIKey of N-but-2-enyl-2-hydrazinyl-2-oxoacetamide?
The InChIKey is ROZKWACKVBNTRR-UHFFFAOYSA-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).
What are the key properties of N-but-2-enyl-2-hydrazinyl-2-oxoacetamide?
N-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-but-2-enyl-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 54278312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).