4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide

C11H13N3O2 — CID 170798274

IUPAC4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide
SMILESNNC(=O)c1ccc(C=CCC(N)=O)cc1
InChIInChI=1S/C11H13N3O2/c12-10(15)3-1-2-8-4-6-9(7-5-8)11(16)14-13/h1-2,4-7H,3,13H2,(H2,12,15)(H,14,16)
InChIKeyMGRXJFWTXYNKJD-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.18
Rot. Bonds4

About 4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide

4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide (PubChem CID 170798274) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide.

Molecular Properties

Compound Name4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide
PubChem CID170798274
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide
SMILESNNC(=O)c1ccc(C=CCC(N)=O)cc1
InChIInChI=1S/C11H13N3O2/c12-10(15)3-1-2-8-4-6-9(7-5-8)11(16)14-13/h1-2,4-7H,3,13H2,(H2,12,15)(H,14,16)
InChIKeyMGRXJFWTXYNKJD-UHFFFAOYSA-N
XLogP0.18
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(hydrazinecarbonyl)phenyl]but-3-enoic acid
CID 170483911
4-(4-hydrazinylphenyl)but-3-enamide
CID 170797562
4-(4-prop-1-en-2-ylphenyl)but-3-enamide
CID 170797716
4-(4-tert-butylphenyl)but-3-enamide
CID 170798132
4-[4-(2-cyanoacetyl)phenyl]but-3-enamide
CID 170798579
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
methyl 4-[4-(4-amino-4-oxobut-1-enyl)phenyl]-4-oxobutanoate
CID 170798880
N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide
CID 170489043
4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide?
The IUPAC name of 4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide (CID 170798274) is 4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide.
What is the SMILES notation for 4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide?
The canonical SMILES for 4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide is NNC(=O)c1ccc(C=CCC(N)=O)cc1.
What is the InChIKey of 4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide?
The InChIKey is MGRXJFWTXYNKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-10(15)3-1-2-8-4-6-9(7-5-8)11(16)14-13/h1-2,4-7H,3,13H2,(H2,12,15)(H,14,16).
What are the key properties of 4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide?
4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide has a molecular weight of 219.24 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydrazinecarbonyl)phenyl]but-3-enamide is sourced from PubChem (CID 170798274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).