4-prop-2-enylmorpholin-4-ium chloride

C7H14ClNO — CID 20536839

IUPAC4-prop-2-enylmorpholin-4-ium chloride
SMILESC=CC[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C7H13NO.ClH/c1-2-3-8-4-6-9-7-5-8;/h2H,1,3-7H2;1H
InChIKeyLZMUKCGZVLVORJ-UHFFFAOYSA-N
MW163.65 g/mol
LogP-3.91
Rot. Bonds2

About 4-prop-2-enylmorpholin-4-ium chloride

4-prop-2-enylmorpholin-4-ium chloride (PubChem CID 20536839) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 4-prop-2-enylmorpholin-4-ium chloride.

Molecular Properties

Compound Name4-prop-2-enylmorpholin-4-ium chloride
PubChem CID20536839
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name4-prop-2-enylmorpholin-4-ium chloride
SMILESC=CC[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C7H13NO.ClH/c1-2-3-8-4-6-9-7-5-8;/h2H,1,3-7H2;1H
InChIKeyLZMUKCGZVLVORJ-UHFFFAOYSA-N
XLogP-3.91
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 5-3.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylmorpholin-4-ium chloride?
The IUPAC name of 4-prop-2-enylmorpholin-4-ium chloride (CID 20536839) is 4-prop-2-enylmorpholin-4-ium chloride.
What is the SMILES notation for 4-prop-2-enylmorpholin-4-ium chloride?
The canonical SMILES for 4-prop-2-enylmorpholin-4-ium chloride is C=CC[NH+]1CCOCC1.[Cl-].
What is the InChIKey of 4-prop-2-enylmorpholin-4-ium chloride?
The InChIKey is LZMUKCGZVLVORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-2-3-8-4-6-9-7-5-8;/h2H,1,3-7H2;1H.
What are the key properties of 4-prop-2-enylmorpholin-4-ium chloride?
4-prop-2-enylmorpholin-4-ium chloride has a molecular weight of 163.65 g/mol, XLogP of -3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylmorpholin-4-ium chloride is sourced from PubChem (CID 20536839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).