4-ethenylmorpholine;dihydrochloride

C6H13Cl2NO — CID 70099540

IUPAC4-ethenylmorpholine;dihydrochloride
SMILESC=CN1CCOCC1.Cl.Cl
InChIInChI=1S/C6H11NO.2ClH/c1-2-7-3-5-8-6-4-7;;/h2H,1,3-6H2;2*1H
InChIKeyRRENJMRCRGVUQL-UHFFFAOYSA-N
MW186.08 g/mol
LogP1.31
Rot. Bonds1

About 4-ethenylmorpholine;dihydrochloride

4-ethenylmorpholine;dihydrochloride (PubChem CID 70099540) has the molecular formula C6H13Cl2NO and a molecular weight of 186.08 g/mol. Its IUPAC name is 4-ethenylmorpholine;dihydrochloride.

Molecular Properties

Compound Name4-ethenylmorpholine;dihydrochloride
PubChem CID70099540
Molecular FormulaC6H13Cl2NO
Molecular Weight186.08 g/mol
Exact Mass185.04
IUPAC Name4-ethenylmorpholine;dihydrochloride
SMILESC=CN1CCOCC1.Cl.Cl
InChIInChI=1S/C6H11NO.2ClH/c1-2-7-3-5-8-6-4-7;;/h2H,1,3-6H2;2*1H
InChIKeyRRENJMRCRGVUQL-UHFFFAOYSA-N
XLogP1.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylmorpholine;dihydrochloride?
The IUPAC name of 4-ethenylmorpholine;dihydrochloride (CID 70099540) is 4-ethenylmorpholine;dihydrochloride.
What is the SMILES notation for 4-ethenylmorpholine;dihydrochloride?
The canonical SMILES for 4-ethenylmorpholine;dihydrochloride is C=CN1CCOCC1.Cl.Cl.
What is the InChIKey of 4-ethenylmorpholine;dihydrochloride?
The InChIKey is RRENJMRCRGVUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.2ClH/c1-2-7-3-5-8-6-4-7;;/h2H,1,3-6H2;2*1H.
What are the key properties of 4-ethenylmorpholine;dihydrochloride?
4-ethenylmorpholine;dihydrochloride has a molecular weight of 186.08 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylmorpholine;dihydrochloride is sourced from PubChem (CID 70099540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).