(Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide

C11H13N3O2 — CID 145382595

IUPAC(Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide
SMILESC/C=C\C(=O)Nc1ccc(C(=O)NN)cc1
InChIInChI=1S/C11H13N3O2/c1-2-3-10(15)13-9-6-4-8(5-7-9)11(16)14-12/h2-7H,12H2,1H3,(H,13,15)(H,14,16)/b3-2-
InChIKeyQZJAHLLNGUETFT-IHWYPQMZSA-N
MW219.24 g/mol
LogP0.80
Rot. Bonds3

About (Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide

(Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide (PubChem CID 145382595) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide
PubChem CID145382595
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide
SMILESC/C=C\C(=O)Nc1ccc(C(=O)NN)cc1
InChIInChI=1S/C11H13N3O2/c1-2-3-10(15)13-9-6-4-8(5-7-9)11(16)14-12/h2-7H,12H2,1H3,(H,13,15)(H,14,16)/b3-2-
InChIKeyQZJAHLLNGUETFT-IHWYPQMZSA-N
XLogP0.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.80
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(carbamoylamino)phenyl]but-2-enamide
CID 78997401
butyl 4-[[(Z)-but-2-enoyl]amino]benzoate
CID 97305674
butyl 4-(but-2-enoylamino)benzoate
CID 73010674
(Z)-N-phenylbut-2-enamide
CID 59909226
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 99872148
(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide
CID 26664564
(E)-4-[4-(ethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17234256
4-[[(E)-but-2-enoyl]amino]-N-(1-butyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 21369339
(E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide
CID 110470241
[4-(phenylcarbamoyl)phenyl]methyl (E)-but-2-enoate
CID 7981070
N-(3-amino-4-fluorophenyl)but-2-enamide
CID 76991046

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide?
The IUPAC name of (Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide (CID 145382595) is (Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide.
What is the SMILES notation for (Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide?
The canonical SMILES for (Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide is C/C=C\C(=O)Nc1ccc(C(=O)NN)cc1.
What is the InChIKey of (Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide?
The InChIKey is QZJAHLLNGUETFT-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-3-10(15)13-9-6-4-8(5-7-9)11(16)14-12/h2-7H,12H2,1H3,(H,13,15)(H,14,16)/b3-2-.
What are the key properties of (Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide?
(Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide has a molecular weight of 219.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(hydrazinecarbonyl)phenyl]but-2-enamide is sourced from PubChem (CID 145382595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).