4-(4-hydrazinylphenyl)but-3-enamide

C10H13N3O — CID 170797562

IUPAC4-(4-hydrazinylphenyl)but-3-enamide
SMILESNNc1ccc(C=CCC(N)=O)cc1
InChIInChI=1S/C10H13N3O/c11-10(14)3-1-2-8-4-6-9(13-12)7-5-8/h1-2,4-7,13H,3,12H2,(H2,11,14)
InChIKeySWXJIZCMVHRTMR-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.86
Rot. Bonds4

About 4-(4-hydrazinylphenyl)but-3-enamide

4-(4-hydrazinylphenyl)but-3-enamide (PubChem CID 170797562) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(4-hydrazinylphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(4-hydrazinylphenyl)but-3-enamide
PubChem CID170797562
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(4-hydrazinylphenyl)but-3-enamide
SMILESNNc1ccc(C=CCC(N)=O)cc1
InChIInChI=1S/C10H13N3O/c11-10(14)3-1-2-8-4-6-9(13-12)7-5-8/h1-2,4-7,13H,3,12H2,(H2,11,14)
InChIKeySWXJIZCMVHRTMR-UHFFFAOYSA-N
XLogP0.86
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-hydrazinylphenyl)but-3-enamide 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

4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide
CID 170798274
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
4-(4-tert-butylphenyl)but-3-enamide
CID 170798132
4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717
4-(4-prop-1-en-2-ylphenyl)but-3-enamide
CID 170797716
4-[4-(2-cyanoacetyl)phenyl]but-3-enamide
CID 170798579
4-(4-piperazin-1-ylphenyl)but-3-enamide
CID 170798696
methyl 4-[4-(4-amino-4-oxobut-1-enyl)phenyl]-4-oxobutanoate
CID 170798880
4-phenylbut-3-enehydrazide
CID 173237990
1-[4-(4-amino-4-oxobut-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 170798683
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
4-[4-(1,2-oxazol-5-yl)phenyl]but-3-enamide
CID 170798671

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinylphenyl)but-3-enamide?
The IUPAC name of 4-(4-hydrazinylphenyl)but-3-enamide (CID 170797562) is 4-(4-hydrazinylphenyl)but-3-enamide.
What is the SMILES notation for 4-(4-hydrazinylphenyl)but-3-enamide?
The canonical SMILES for 4-(4-hydrazinylphenyl)but-3-enamide is NNc1ccc(C=CCC(N)=O)cc1.
What is the InChIKey of 4-(4-hydrazinylphenyl)but-3-enamide?
The InChIKey is SWXJIZCMVHRTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-10(14)3-1-2-8-4-6-9(13-12)7-5-8/h1-2,4-7,13H,3,12H2,(H2,11,14).
What are the key properties of 4-(4-hydrazinylphenyl)but-3-enamide?
4-(4-hydrazinylphenyl)but-3-enamide has a molecular weight of 191.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinylphenyl)but-3-enamide is sourced from PubChem (CID 170797562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).