1-methoxyethylideneazanium chloride

C3H8ClNO — CID 26887

IUPAC1-methoxyethylideneazanium chloride
SMILESCOC(C)=[NH2+].[Cl-]
InChIInChI=1S/C3H7NO.ClH/c1-3(4)5-2;/h4H,1-2H3;1H
InChIKeyWHYJXXISOUGFLJ-UHFFFAOYSA-N
MW109.56 g/mol
LogP-4.19
Rot. Bonds

About 1-methoxyethylideneazanium chloride

1-methoxyethylideneazanium chloride (PubChem CID 26887) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is 1-methoxyethylideneazanium chloride.

Molecular Properties

Compound Name1-methoxyethylideneazanium chloride
PubChem CID26887
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC Name1-methoxyethylideneazanium chloride
SMILESCOC(C)=[NH2+].[Cl-]
InChIInChI=1S/C3H7NO.ClH/c1-3(4)5-2;/h4H,1-2H3;1H
InChIKeyWHYJXXISOUGFLJ-UHFFFAOYSA-N
XLogP-4.19
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 5-4.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[amino(methoxy)methylidene]azanium
CID 12946830
methyl acetate;ruthenium
CID 160799101
methyl acetate;titanium
CID 87665287
methane;methyl acetate
CID 162094565
argon;methyl acetate
CID 169424774
copper;methyl acetate
CID 174340034
methane;methyl acetate
CID 158871569
bismuthane;methyl acetate
CID 174537209
CID 159985177
CID 159985177
N-[(Z)-but-2-en-2-yl]oxymethanamine
CID 129194467
acetaldehyde;methane;methyl acetate
CID 157361598
[methoxy(phenyl)methylidene]azanium chloride
CID 11062861

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethylideneazanium chloride?
The IUPAC name of 1-methoxyethylideneazanium chloride (CID 26887) is 1-methoxyethylideneazanium chloride.
What is the SMILES notation for 1-methoxyethylideneazanium chloride?
The canonical SMILES for 1-methoxyethylideneazanium chloride is COC(C)=[NH2+].[Cl-].
What is the InChIKey of 1-methoxyethylideneazanium chloride?
The InChIKey is WHYJXXISOUGFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.ClH/c1-3(4)5-2;/h4H,1-2H3;1H.
What are the key properties of 1-methoxyethylideneazanium chloride?
1-methoxyethylideneazanium chloride has a molecular weight of 109.56 g/mol, XLogP of -4.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethylideneazanium chloride is sourced from PubChem (CID 26887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).