morpholin-4-ium iodide

C4H10INO — CID 102296800

IUPACmorpholin-4-ium iodide
SMILESC1COCC[NH2+]1.[I-]
InChIInChI=1S/C4H9NO.HI/c1-3-6-4-2-5-1;/h5H,1-4H2;1H
InChIKeyVAWHFUNJDMQUSB-UHFFFAOYSA-N
MW215.03 g/mol
LogP-4.42
Rot. Bonds

About morpholin-4-ium iodide

morpholin-4-ium iodide (PubChem CID 102296800) has the molecular formula C4H10INO and a molecular weight of 215.03 g/mol. Its IUPAC name is morpholin-4-ium iodide.

Molecular Properties

Compound Namemorpholin-4-ium iodide
PubChem CID102296800
Molecular FormulaC4H10INO
Molecular Weight215.03 g/mol
Exact Mass214.98
IUPAC Namemorpholin-4-ium iodide
SMILESC1COCC[NH2+]1.[I-]
InChIInChI=1S/C4H9NO.HI/c1-3-6-4-2-5-1;/h5H,1-4H2;1H
InChIKeyVAWHFUNJDMQUSB-UHFFFAOYSA-N
XLogP-4.42
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.03
LogP ≤ 5-4.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-ium iodide?
The IUPAC name of morpholin-4-ium iodide (CID 102296800) is morpholin-4-ium iodide.
What is the SMILES notation for morpholin-4-ium iodide?
The canonical SMILES for morpholin-4-ium iodide is C1COCC[NH2+]1.[I-].
What is the InChIKey of morpholin-4-ium iodide?
The InChIKey is VAWHFUNJDMQUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.HI/c1-3-6-4-2-5-1;/h5H,1-4H2;1H.
What are the key properties of morpholin-4-ium iodide?
morpholin-4-ium iodide has a molecular weight of 215.03 g/mol, XLogP of -4.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ium iodide is sourced from PubChem (CID 102296800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).