4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine

C11H20ClNO — CID 77051689

IUPAC4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1CC=CCCl
InChIInChI=1S/C11H20ClNO/c1-3-11-9-14-10(2)8-13(11)7-5-4-6-12/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyQCOCRCIJSZCIMW-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.28
Rot. Bonds4

About 4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine

4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine (PubChem CID 77051689) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine
PubChem CID77051689
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1CC=CCCl
InChIInChI=1S/C11H20ClNO/c1-3-11-9-14-10(2)8-13(11)7-5-4-6-12/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyQCOCRCIJSZCIMW-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine (CID 77051689) is 4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1CC=CCCl.
What is the InChIKey of 4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine?
The InChIKey is QCOCRCIJSZCIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-3-11-9-14-10(2)8-13(11)7-5-4-6-12/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of 4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine?
4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine has a molecular weight of 217.74 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobut-2-enyl)-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 77051689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).