(2-formyl-5-methoxyphenyl)-trimethylazanium

C11H16NO2+ — CID 57461915

IUPAC(2-formyl-5-methoxyphenyl)-trimethylazanium
SMILESCOc1ccc(C=O)c([N+](C)(C)C)c1
InChIInChI=1S/C11H16NO2/c1-12(2,3)11-7-10(14-4)6-5-9(11)8-13/h5-8H,1-4H3/q+1
InChIKeyYIRITLUTXKEDKM-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.70
Rot. Bonds3

About (2-formyl-5-methoxyphenyl)-trimethylazanium

(2-formyl-5-methoxyphenyl)-trimethylazanium (PubChem CID 57461915) has the molecular formula C11H16NO2+ and a molecular weight of 194.25 g/mol. Its IUPAC name is (2-formyl-5-methoxyphenyl)-trimethylazanium.

Molecular Properties

Compound Name(2-formyl-5-methoxyphenyl)-trimethylazanium
PubChem CID57461915
Molecular FormulaC11H16NO2+
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(2-formyl-5-methoxyphenyl)-trimethylazanium
SMILESCOc1ccc(C=O)c([N+](C)(C)C)c1
InChIInChI=1S/C11H16NO2/c1-12(2,3)11-7-10(14-4)6-5-9(11)8-13/h5-8H,1-4H3/q+1
InChIKeyYIRITLUTXKEDKM-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2-formyl-5-methoxyphenyl)-methylborinic acid
CID 58916121
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
4-methoxy-2-(trimethylazaniumyl)benzenesulfinate
CID 174523350
4-methoxy-2-(3-methoxyphenoxy)benzaldehyde
CID 122403845
4-methoxy-2-(triaminomethoxy)benzaldehyde
CID 89196601
2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid
CID 117297040
2-(1-aminocyclopropyl)-4-methoxybenzaldehyde
CID 117282260
2-(2,2-dimethylpropanoyl)-4-methoxybenzaldehyde
CID 173118592
4-methoxy-2-(3-sulfanylprop-1-enyl)benzaldehyde
CID 169455417
5-methoxy-2-pyrrol-1-ylbenzaldehyde
CID 121010613
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
4-methoxy-2-[(1E)-4-oxobuta-1,3-dienyl]benzaldehyde
CID 172555495

Frequently Asked Questions

What is the IUPAC name of (2-formyl-5-methoxyphenyl)-trimethylazanium?
The IUPAC name of (2-formyl-5-methoxyphenyl)-trimethylazanium (CID 57461915) is (2-formyl-5-methoxyphenyl)-trimethylazanium.
What is the SMILES notation for (2-formyl-5-methoxyphenyl)-trimethylazanium?
The canonical SMILES for (2-formyl-5-methoxyphenyl)-trimethylazanium is COc1ccc(C=O)c([N+](C)(C)C)c1.
What is the InChIKey of (2-formyl-5-methoxyphenyl)-trimethylazanium?
The InChIKey is YIRITLUTXKEDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO2/c1-12(2,3)11-7-10(14-4)6-5-9(11)8-13/h5-8H,1-4H3/q+1.
What are the key properties of (2-formyl-5-methoxyphenyl)-trimethylazanium?
(2-formyl-5-methoxyphenyl)-trimethylazanium has a molecular weight of 194.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-5-methoxyphenyl)-trimethylazanium is sourced from PubChem (CID 57461915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).