4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine

C10H18ClNO — CID 103067662

IUPAC4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine
SMILESC=C(CCl)CN1CCOC(C)(C)C1
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-12-4-5-13-10(2,3)8-12/h1,4-8H2,2-3H3
InChIKeyDLQDMGIBRUSGRM-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.89
Rot. Bonds3

About 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine

4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine (PubChem CID 103067662) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine
PubChem CID103067662
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine
SMILESC=C(CCl)CN1CCOC(C)(C)C1
InChIInChI=1S/C10H18ClNO/c1-9(6-11)7-12-4-5-13-10(2,3)8-12/h1,4-8H2,2-3H3
InChIKeyDLQDMGIBRUSGRM-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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Related Compounds

4-[2-(Chloromethyl)prop-2-enyl]morpholine
CID 103691526
4-Methyl-4-(2-methylprop-2-enyl)morpholin-4-ium chloride
CID 23062108
4-(2-Chloroprop-2-enyl)-2,2,6-trimethylmorpholine
CID 48637481
(2S,6R)-4-[(E)-3-chloroprop-2-enyl]-2,6-dimethylmorpholine
CID 52140452
4-(3-Chloropropyl)-2,2-dimethylmorpholine
CID 61287956
4-(3-Chloropropyl)-2,2,6-trimethylmorpholine
CID 61956226
4-(3-Chloro-2-methylpropyl)-2,2-dimethylmorpholine
CID 64232973
4-[(E)-4-chlorobut-2-enyl]-2,2,6-trimethylmorpholine
CID 64680015
4-[(E)-4-chlorobut-2-enyl]-2,2-dimethylmorpholine
CID 64680218
4-(4-Chlorobut-2-enyl)-2,2,6-trimethylmorpholine
CID 77051087
4-(4-Chlorobut-2-enyl)-2,2-dimethylmorpholine
CID 77051133
4-[(E)-4-chlorobut-2-enyl]-2,2,6,6-tetramethylmorpholine
CID 102745258

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine (CID 103067662) is 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine is C=C(CCl)CN1CCOC(C)(C)C1.
What is the InChIKey of 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine?
The InChIKey is DLQDMGIBRUSGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-9(6-11)7-12-4-5-13-10(2,3)8-12/h1,4-8H2,2-3H3.
What are the key properties of 4-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine?
4-[2-(chloromethyl)prop-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-[2-(chloromethyl)prop-2-enyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 103067662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).