N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide

C11H13N3O2 — CID 53412410

IUPACN-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
SMILESCC(=O)NC(=Cc1ccccc1)C(=O)NN
InChIInChI=1S/C11H13N3O2/c1-8(15)13-10(11(16)14-12)7-9-5-3-2-4-6-9/h2-7H,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyXNNGXWQPISXVFG-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.15
Rot. Bonds3

About N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide

N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide (PubChem CID 53412410) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
PubChem CID53412410
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
SMILESCC(=O)NC(=Cc1ccccc1)C(=O)NN
InChIInChI=1S/C11H13N3O2/c1-8(15)13-10(11(16)14-12)7-9-5-3-2-4-6-9/h2-7H,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyXNNGXWQPISXVFG-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
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-[(Z)-1-(4-fluorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]acetamide
CID 134104686
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 9163961
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide
CID 5008732
(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide
CID 29278022
2-[(2-acetamido-3-phenylprop-2-enoyl)amino]benzoic acid
CID 139795518
(Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide
CID 21226623
2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide
CID 3677645
N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 5442372
propyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 12635852

Frequently Asked Questions

What is the IUPAC name of N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide?
The IUPAC name of N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide (CID 53412410) is N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide.
What is the SMILES notation for N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide?
The canonical SMILES for N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide is CC(=O)NC(=Cc1ccccc1)C(=O)NN.
What is the InChIKey of N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide?
The InChIKey is XNNGXWQPISXVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(15)13-10(11(16)14-12)7-9-5-3-2-4-6-9/h2-7H,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide?
N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide has a molecular weight of 219.24 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide is sourced from PubChem (CID 53412410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).