4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine

C10H18ClNO — CID 64680218

IUPAC4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(C/C=C/CCl)CCO1
InChIInChI=1S/C10H18ClNO/c1-10(2)9-12(7-8-13-10)6-4-3-5-11/h3-4H,5-9H2,1-2H3/b4-3+
InChIKeyAAFNAGZKMDOFNN-ONEGZZNKSA-N
MW203.71 g/mol
LogP1.89
Rot. Bonds3

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

4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine (PubChem CID 64680218) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine
PubChem CID64680218
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(C/C=C/CCl)CCO1
InChIInChI=1S/C10H18ClNO/c1-10(2)9-12(7-8-13-10)6-4-3-5-11/h3-4H,5-9H2,1-2H3/b4-3+
InChIKeyAAFNAGZKMDOFNN-ONEGZZNKSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.89
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-dimethylmorpholine?
The IUPAC name of 4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine (CID 64680218) is 4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine is CC1(C)CN(C/C=C/CCl)CCO1.
What is the InChIKey of 4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine?
The InChIKey is AAFNAGZKMDOFNN-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-10(2)9-12(7-8-13-10)6-4-3-5-11/h3-4H,5-9H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine?
4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine has a molecular weight of 203.71 g/mol, XLogP of 1.89, 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-dimethylmorpholine is sourced from PubChem (CID 64680218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).