hydroxymethylidene(dimethyl)azanium chloride

C3H8ClNO — CID 2724589

IUPAChydroxymethylidene(dimethyl)azanium chloride
SMILESC[N+](C)=CO.[Cl-]
InChIInChI=1S/C3H7NO.ClH/c1-4(2)3-5;/h3H,1-2H3;1H
InChIKeySAVROPQJUYSBDD-UHFFFAOYSA-N
MW109.56 g/mol
LogP-3.15
Rot. Bonds

About hydroxymethylidene(dimethyl)azanium chloride

hydroxymethylidene(dimethyl)azanium chloride (PubChem CID 2724589) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is hydroxymethylidene(dimethyl)azanium chloride.

Molecular Properties

Compound Namehydroxymethylidene(dimethyl)azanium chloride
PubChem CID2724589
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC Namehydroxymethylidene(dimethyl)azanium chloride
SMILESC[N+](C)=CO.[Cl-]
InChIInChI=1S/C3H7NO.ClH/c1-4(2)3-5;/h3H,1-2H3;1H
InChIKeySAVROPQJUYSBDD-UHFFFAOYSA-N
XLogP-3.15
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 5-3.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxymethylidene(dimethyl)azanium chloride?
The IUPAC name of hydroxymethylidene(dimethyl)azanium chloride (CID 2724589) is hydroxymethylidene(dimethyl)azanium chloride.
What is the SMILES notation for hydroxymethylidene(dimethyl)azanium chloride?
The canonical SMILES for hydroxymethylidene(dimethyl)azanium chloride is C[N+](C)=CO.[Cl-].
What is the InChIKey of hydroxymethylidene(dimethyl)azanium chloride?
The InChIKey is SAVROPQJUYSBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.ClH/c1-4(2)3-5;/h3H,1-2H3;1H.
What are the key properties of hydroxymethylidene(dimethyl)azanium chloride?
hydroxymethylidene(dimethyl)azanium chloride has a molecular weight of 109.56 g/mol, XLogP of -3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethylidene(dimethyl)azanium chloride is sourced from PubChem (CID 2724589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).