trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium

C15H24N3O4+ — CID 5474851

IUPACtrimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium
SMILESCOc1cc(/C=N\NC(=O)C[N+](C)(C)C)cc(OC)c1OC
InChIInChI=1S/C15H23N3O4/c1-18(2,3)10-14(19)17-16-9-11-7-12(20-4)15(22-6)13(8-11)21-5/h7-9H,10H2,1-6H3/p+1/b16-9-
InChIKeyBQQTYFYHEDLIFO-SXGWCWSVSA-O
MW310.37 g/mol
LogP0.87
Rot. Bonds7

About trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium

trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium (PubChem CID 5474851) has the molecular formula C15H24N3O4+ and a molecular weight of 310.37 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium
PubChem CID5474851
Molecular FormulaC15H24N3O4+
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Nametrimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium
SMILESCOc1cc(/C=N\NC(=O)C[N+](C)(C)C)cc(OC)c1OC
InChIInChI=1S/C15H23N3O4/c1-18(2,3)10-14(19)17-16-9-11-7-12(20-4)15(22-6)13(8-11)21-5/h7-9H,10H2,1-6H3/p+1/b16-9-
InChIKeyBQQTYFYHEDLIFO-SXGWCWSVSA-O
XLogP0.87
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium?
The IUPAC name of trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium (CID 5474851) is trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium?
The canonical SMILES for trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium is COc1cc(/C=N\NC(=O)C[N+](C)(C)C)cc(OC)c1OC.
What is the InChIKey of trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium?
The InChIKey is BQQTYFYHEDLIFO-SXGWCWSVSA-O. The full InChI is InChI=1S/C15H23N3O4/c1-18(2,3)10-14(19)17-16-9-11-7-12(20-4)15(22-6)13(8-11)21-5/h7-9H,10H2,1-6H3/p+1/b16-9-.
What are the key properties of trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium?
trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium has a molecular weight of 310.37 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium is sourced from PubChem (CID 5474851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).