4-[(E)-4-chlorobut-2-enyl]morpholine

C8H14ClNO — CID 18703520

IUPAC4-[(E)-4-chlorobut-2-enyl]morpholine
SMILESClC/C=C/CN1CCOCC1
InChIInChI=1S/C8H14ClNO/c9-3-1-2-4-10-5-7-11-8-6-10/h1-2H,3-8H2/b2-1+
InChIKeyRBMOHURSRGLBOW-OWOJBTEDSA-N
MW175.66 g/mol
LogP1.11
Rot. Bonds3

About 4-[(E)-4-chlorobut-2-enyl]morpholine

4-[(E)-4-chlorobut-2-enyl]morpholine (PubChem CID 18703520) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 4-[(E)-4-chlorobut-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-4-chlorobut-2-enyl]morpholine
PubChem CID18703520
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name4-[(E)-4-chlorobut-2-enyl]morpholine
SMILESClC/C=C/CN1CCOCC1
InChIInChI=1S/C8H14ClNO/c9-3-1-2-4-10-5-7-11-8-6-10/h1-2H,3-8H2/b2-1+
InChIKeyRBMOHURSRGLBOW-OWOJBTEDSA-N
XLogP1.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.11
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]morpholine?
The IUPAC name of 4-[(E)-4-chlorobut-2-enyl]morpholine (CID 18703520) is 4-[(E)-4-chlorobut-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-4-chlorobut-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-4-chlorobut-2-enyl]morpholine is ClC/C=C/CN1CCOCC1.
What is the InChIKey of 4-[(E)-4-chlorobut-2-enyl]morpholine?
The InChIKey is RBMOHURSRGLBOW-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H14ClNO/c9-3-1-2-4-10-5-7-11-8-6-10/h1-2H,3-8H2/b2-1+.
What are the key properties of 4-[(E)-4-chlorobut-2-enyl]morpholine?
4-[(E)-4-chlorobut-2-enyl]morpholine has a molecular weight of 175.66 g/mol, XLogP of 1.11, 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]morpholine is sourced from PubChem (CID 18703520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).