4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine

C11H20ClNO — CID 64680015

IUPAC4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine
SMILESCC1CN(C/C=C/CCl)CC(C)(C)O1
InChIInChI=1S/C11H20ClNO/c1-10-8-13(7-5-4-6-12)9-11(2,3)14-10/h4-5,10H,6-9H2,1-3H3/b5-4+
InChIKeyRACSUVYRJSGLAI-SNAWJCMRSA-N
MW217.74 g/mol
LogP2.28
Rot. Bonds3

About 4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine

4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine (PubChem CID 64680015) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine
PubChem CID64680015
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine
SMILESCC1CN(C/C=C/CCl)CC(C)(C)O1
InChIInChI=1S/C11H20ClNO/c1-10-8-13(7-5-4-6-12)9-11(2,3)14-10/h4-5,10H,6-9H2,1-3H3/b5-4+
InChIKeyRACSUVYRJSGLAI-SNAWJCMRSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine?
The IUPAC name of 4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine (CID 64680015) is 4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine is CC1CN(C/C=C/CCl)CC(C)(C)O1.
What is the InChIKey of 4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine?
The InChIKey is RACSUVYRJSGLAI-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10-8-13(7-5-4-6-12)9-11(2,3)14-10/h4-5,10H,6-9H2,1-3H3/b5-4+.
What are the key properties of 4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine?
4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine has a molecular weight of 217.74 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine is sourced from PubChem (CID 64680015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).