4-(4-chlorobut-2-enyl)-3-ethylmorpholine

C10H18ClNO — CID 77051180

IUPAC4-(4-chlorobut-2-enyl)-3-ethylmorpholine
SMILESCCC1COCCN1CC=CCCl
InChIInChI=1S/C10H18ClNO/c1-2-10-9-13-8-7-12(10)6-4-3-5-11/h3-4,10H,2,5-9H2,1H3
InChIKeyIPJKUWHNJMGMHL-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.89
Rot. Bonds4

About 4-(4-chlorobut-2-enyl)-3-ethylmorpholine

4-(4-chlorobut-2-enyl)-3-ethylmorpholine (PubChem CID 77051180) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 4-(4-chlorobut-2-enyl)-3-ethylmorpholine.

Molecular Properties

Compound Name4-(4-chlorobut-2-enyl)-3-ethylmorpholine
PubChem CID77051180
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4-(4-chlorobut-2-enyl)-3-ethylmorpholine
SMILESCCC1COCCN1CC=CCCl
InChIInChI=1S/C10H18ClNO/c1-2-10-9-13-8-7-12(10)6-4-3-5-11/h3-4,10H,2,5-9H2,1H3
InChIKeyIPJKUWHNJMGMHL-UHFFFAOYSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-(4-chlorobut-2-enyl)-3-ethylmorpholine?
The IUPAC name of 4-(4-chlorobut-2-enyl)-3-ethylmorpholine (CID 77051180) is 4-(4-chlorobut-2-enyl)-3-ethylmorpholine.
What is the SMILES notation for 4-(4-chlorobut-2-enyl)-3-ethylmorpholine?
The canonical SMILES for 4-(4-chlorobut-2-enyl)-3-ethylmorpholine is CCC1COCCN1CC=CCCl.
What is the InChIKey of 4-(4-chlorobut-2-enyl)-3-ethylmorpholine?
The InChIKey is IPJKUWHNJMGMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-2-10-9-13-8-7-12(10)6-4-3-5-11/h3-4,10H,2,5-9H2,1H3.
What are the key properties of 4-(4-chlorobut-2-enyl)-3-ethylmorpholine?
4-(4-chlorobut-2-enyl)-3-ethylmorpholine has a molecular weight of 203.71 g/mol, XLogP of 1.89, 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)-3-ethylmorpholine is sourced from PubChem (CID 77051180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).