4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine

C11H20ClNO — CID 107897805

IUPAC4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine
SMILESC/C=C/CN1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C11H20ClNO/c1-4-5-6-13-8-10(7-12)14-11(2,3)9-13/h4-5,10H,6-9H2,1-3H3/b5-4+
InChIKeyOMTRTKCPWORAIE-SNAWJCMRSA-N
MW217.74 g/mol
LogP2.28
Rot. Bonds3

About 4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine

4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine (PubChem CID 107897805) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine
PubChem CID107897805
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine
SMILESC/C=C/CN1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C11H20ClNO/c1-4-5-6-13-8-10(7-12)14-11(2,3)9-13/h4-5,10H,6-9H2,1-3H3/b5-4+
InChIKeyOMTRTKCPWORAIE-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)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine?
The IUPAC name of 4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine (CID 107897805) is 4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine is C/C=C/CN1CC(CCl)OC(C)(C)C1.
What is the InChIKey of 4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine?
The InChIKey is OMTRTKCPWORAIE-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-4-5-6-13-8-10(7-12)14-11(2,3)9-13/h4-5,10H,6-9H2,1-3H3/b5-4+.
What are the key properties of 4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine?
4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine 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)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 107897805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).