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

C14H20N3O+ — CID 173017533

IUPACtrimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
SMILESC[N+](C)(C)CC(=O)NN=C/C=C/c1ccccc1
InChIInChI=1S/C14H19N3O/c1-17(2,3)12-14(18)16-15-11-7-10-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3/p+1/b10-7+,15-11?
InChIKeyZAVIJHFZJYOESB-QMWDNBGHSA-O
MW246.33 g/mol
LogP1.51
Rot. Bonds5

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

trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium (PubChem CID 173017533) has the molecular formula C14H20N3O+ and a molecular weight of 246.33 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
PubChem CID173017533
Molecular FormulaC14H20N3O+
Molecular Weight246.33 g/mol
Exact Mass246.16
IUPAC Nametrimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
SMILESC[N+](C)(C)CC(=O)NN=C/C=C/c1ccccc1
InChIInChI=1S/C14H19N3O/c1-17(2,3)12-14(18)16-15-11-7-10-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3/p+1/b10-7+,15-11?
InChIKeyZAVIJHFZJYOESB-QMWDNBGHSA-O
XLogP1.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.51
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'}

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Related Compounds

trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride
CID 87145992
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-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium?
The IUPAC name of trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium (CID 173017533) is trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium?
The canonical SMILES for trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium is C[N+](C)(C)CC(=O)NN=C/C=C/c1ccccc1.
What is the InChIKey of trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium?
The InChIKey is ZAVIJHFZJYOESB-QMWDNBGHSA-O. The full InChI is InChI=1S/C14H19N3O/c1-17(2,3)12-14(18)16-15-11-7-10-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3/p+1/b10-7+,15-11?.
What are the key properties of trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium?
trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium has a molecular weight of 246.33 g/mol, XLogP of 1.51, 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-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium is sourced from PubChem (CID 173017533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).