2-ethoxyethylideneazanium chloride

C4H10ClNO — CID 172780490

IUPAC2-ethoxyethylideneazanium chloride
SMILESCCOCC=[NH2+].[Cl-]
InChIInChI=1S/C4H9NO.ClH/c1-2-6-4-3-5;/h3,5H,2,4H2,1H3;1H
InChIKeyOENXQPVWWBGQLM-UHFFFAOYSA-N
MW123.58 g/mol
LogP-4.14
Rot. Bonds3

About 2-ethoxyethylideneazanium chloride

2-ethoxyethylideneazanium chloride (PubChem CID 172780490) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is 2-ethoxyethylideneazanium chloride.

Molecular Properties

Compound Name2-ethoxyethylideneazanium chloride
PubChem CID172780490
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Name2-ethoxyethylideneazanium chloride
SMILESCCOCC=[NH2+].[Cl-]
InChIInChI=1S/C4H9NO.ClH/c1-2-6-4-3-5;/h3,5H,2,4H2,1H3;1H
InChIKeyOENXQPVWWBGQLM-UHFFFAOYSA-N
XLogP-4.14
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 5-4.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethylideneazanium chloride?
The IUPAC name of 2-ethoxyethylideneazanium chloride (CID 172780490) is 2-ethoxyethylideneazanium chloride.
What is the SMILES notation for 2-ethoxyethylideneazanium chloride?
The canonical SMILES for 2-ethoxyethylideneazanium chloride is CCOCC=[NH2+].[Cl-].
What is the InChIKey of 2-ethoxyethylideneazanium chloride?
The InChIKey is OENXQPVWWBGQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.ClH/c1-2-6-4-3-5;/h3,5H,2,4H2,1H3;1H.
What are the key properties of 2-ethoxyethylideneazanium chloride?
2-ethoxyethylideneazanium chloride has a molecular weight of 123.58 g/mol, XLogP of -4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethylideneazanium chloride is sourced from PubChem (CID 172780490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).