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

C15H24ClN3O4 — CID 6435675

IUPACtrimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride
SMILESCOc1cc(/C=N\NC(=O)C[N+](C)(C)C)cc(OC)c1OC.[Cl-]
InChIInChI=1S/C15H23N3O4.ClH/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;1H/b16-9-;
InChIKeyALCHWRXKFZPVCI-LFMIJCLESA-N
MW345.83 g/mol
LogP-2.13
Rot. Bonds7

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

trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride (PubChem CID 6435675) has the molecular formula C15H24ClN3O4 and a molecular weight of 345.83 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride
PubChem CID6435675
Molecular FormulaC15H24ClN3O4
Molecular Weight345.83 g/mol
Exact Mass345.15
IUPAC Nametrimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride
SMILESCOc1cc(/C=N\NC(=O)C[N+](C)(C)C)cc(OC)c1OC.[Cl-]
InChIInChI=1S/C15H23N3O4.ClH/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;1H/b16-9-;
InChIKeyALCHWRXKFZPVCI-LFMIJCLESA-N
XLogP-2.13
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 5-2.13
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride?
The IUPAC name of trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride (CID 6435675) is trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride.
What is the SMILES notation for trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride?
The canonical SMILES for trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride is COc1cc(/C=N\NC(=O)C[N+](C)(C)C)cc(OC)c1OC.[Cl-].
What is the InChIKey of trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride?
The InChIKey is ALCHWRXKFZPVCI-LFMIJCLESA-N. The full InChI is InChI=1S/C15H23N3O4.ClH/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;1H/b16-9-;.
What are the key properties of trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride?
trimethyl-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]azanium chloride has a molecular weight of 345.83 g/mol, XLogP of -2.13, 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 chloride is sourced from PubChem (CID 6435675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).