2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine

C9H16ClNO — CID 81209716

IUPAC2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine
SMILESC=CCN1CC(CCl)OCC1C
InChIInChI=1S/C9H16ClNO/c1-3-4-11-6-9(5-10)12-7-8(11)2/h3,8-9H,1,4-7H2,2H3
InChIKeyRVFWCRSMCZBFJO-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.50
Rot. Bonds3

About 2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine

2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine (PubChem CID 81209716) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine
PubChem CID81209716
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine
SMILESC=CCN1CC(CCl)OCC1C
InChIInChI=1S/C9H16ClNO/c1-3-4-11-6-9(5-10)12-7-8(11)2/h3,8-9H,1,4-7H2,2H3
InChIKeyRVFWCRSMCZBFJO-UHFFFAOYSA-N
XLogP1.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.50
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 2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine?
The IUPAC name of 2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine (CID 81209716) is 2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine is C=CCN1CC(CCl)OCC1C.
What is the InChIKey of 2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine?
The InChIKey is RVFWCRSMCZBFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-3-4-11-6-9(5-10)12-7-8(11)2/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine?
2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine has a molecular weight of 189.69 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-4-prop-2-enylmorpholine is sourced from PubChem (CID 81209716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).