4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine

C10H18ClNO — CID 77051847

IUPAC4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine
SMILESCC1CN(CC=CCCl)C(C)CO1
InChIInChI=1S/C10H18ClNO/c1-9-8-13-10(2)7-12(9)6-4-3-5-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyVPLLWXYBBKIVEU-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.89
Rot. Bonds3

About 4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine

4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine (PubChem CID 77051847) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine
PubChem CID77051847
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine
SMILESCC1CN(CC=CCCl)C(C)CO1
InChIInChI=1S/C10H18ClNO/c1-9-8-13-10(2)7-12(9)6-4-3-5-11/h3-4,9-10H,5-8H2,1-2H3
InChIKeyVPLLWXYBBKIVEU-UHFFFAOYSA-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-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine?
The IUPAC name of 4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine (CID 77051847) is 4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine.
What is the SMILES notation for 4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine?
The canonical SMILES for 4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine is CC1CN(CC=CCCl)C(C)CO1.
What is the InChIKey of 4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine?
The InChIKey is VPLLWXYBBKIVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9-8-13-10(2)7-12(9)6-4-3-5-11/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine?
4-(4-chlorobut-2-enyl)-2,5-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-(4-chlorobut-2-enyl)-2,5-dimethylmorpholine is sourced from PubChem (CID 77051847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).