trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride

C14H20ClN3O — CID 87145992

IUPACtrimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride
SMILESC[N+](C)(C)CC(=O)N/N=C/C=C/c1ccccc1.[Cl-]
InChIInChI=1S/C14H19N3O.ClH/c1-17(2,3)12-14(18)16-15-11-7-10-13-8-5-4-6-9-13;/h4-11H,12H2,1-3H3;1H/b10-7+,15-11+;
InChIKeyGZTKGMQVBFUCLV-XWFCIUHXSA-N
MW281.79 g/mol
LogP-1.49
Rot. Bonds5

About trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride

trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride (PubChem CID 87145992) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride
PubChem CID87145992
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Nametrimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride
SMILESC[N+](C)(C)CC(=O)N/N=C/C=C/c1ccccc1.[Cl-]
InChIInChI=1S/C14H19N3O.ClH/c1-17(2,3)12-14(18)16-15-11-7-10-13-8-5-4-6-9-13;/h4-11H,12H2,1-3H3;1H/b10-7+,15-11+;
InChIKeyGZTKGMQVBFUCLV-XWFCIUHXSA-N
XLogP-1.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride 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

trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
CID 173017533
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
1,3-bis(cinnamylideneamino)urea
CID 2823909
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 44665707
3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide
CID 92529742
1-[(E)-cinnamylideneamino]-3-methylurea
CID 167350066
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945
2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6252134
N-(cinnamylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4198781
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19183254

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride?
The IUPAC name of trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride (CID 87145992) is trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride.
What is the SMILES notation for trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride?
The canonical SMILES for trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride is C[N+](C)(C)CC(=O)N/N=C/C=C/c1ccccc1.[Cl-].
What is the InChIKey of trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride?
The InChIKey is GZTKGMQVBFUCLV-XWFCIUHXSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-17(2,3)12-14(18)16-15-11-7-10-13-8-5-4-6-9-13;/h4-11H,12H2,1-3H3;1H/b10-7+,15-11+;.
What are the key properties of trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride?
trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride has a molecular weight of 281.79 g/mol, XLogP of -1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride is sourced from PubChem (CID 87145992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).