methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium

C18H15N2O2+ — CID 89033627

IUPACmethoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium
SMILESCO[N+](=O)c1ccccc1/C=N/c1cccc2ccccc12
InChIInChI=1S/C18H15N2O2/c1-22-20(21)18-12-5-3-8-15(18)13-19-17-11-6-9-14-7-2-4-10-16(14)17/h2-13H,1H3/q+1/b19-13+
InChIKeyFLNNQPUQTDXGCU-CPNJWEJPSA-N
MW291.33 g/mol
LogP4.56
Rot. Bonds4

About methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium

methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium (PubChem CID 89033627) has the molecular formula C18H15N2O2+ and a molecular weight of 291.33 g/mol. Its IUPAC name is methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium.

Molecular Properties

Compound Namemethoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium
PubChem CID89033627
Molecular FormulaC18H15N2O2+
Molecular Weight291.33 g/mol
Exact Mass291.11
IUPAC Namemethoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium
SMILESCO[N+](=O)c1ccccc1/C=N/c1cccc2ccccc12
InChIInChI=1S/C18H15N2O2/c1-22-20(21)18-12-5-3-8-15(18)13-19-17-11-6-9-14-7-2-4-10-16(14)17/h2-13H,1H3/q+1/b19-13+
InChIKeyFLNNQPUQTDXGCU-CPNJWEJPSA-N
XLogP4.56
TPSA41.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 1201463
CID 1201463
CID 623889
CID 623889
CID 291059
CID 291059
CID 774540
CID 774540
CID 86504
CID 86504
CID 629854
CID 629854
CID 292086
CID 292086
CID 16099331
CID 16099331
CID 2197841
CID 2197841
CID 5368318
CID 5368318
CID 292081
CID 292081
CID 555781
CID 555781

Frequently Asked Questions

What is the IUPAC name of methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium?
The IUPAC name of methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium (CID 89033627) is methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium.
What is the SMILES notation for methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium?
The canonical SMILES for methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium is CO[N+](=O)c1ccccc1/C=N/c1cccc2ccccc12.
What is the InChIKey of methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium?
The InChIKey is FLNNQPUQTDXGCU-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H15N2O2/c1-22-20(21)18-12-5-3-8-15(18)13-19-17-11-6-9-14-7-2-4-10-16(14)17/h2-13H,1H3/q+1/b19-13+.
What are the key properties of methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium?
methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium has a molecular weight of 291.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[2-(naphthalen-1-yliminomethyl)phenyl]-oxoazanium is sourced from PubChem (CID 89033627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).