4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine

C9H16ClNO — CID 103067572

IUPAC4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine
SMILESC=C(CCl)CN1CCOC(C)C1
InChIInChI=1S/C9H16ClNO/c1-8(5-10)6-11-3-4-12-9(2)7-11/h9H,1,3-7H2,2H3
InChIKeyIIIMBOGHYRYLAL-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.50
Rot. Bonds3

About 4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine

4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine (PubChem CID 103067572) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine
PubChem CID103067572
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine
SMILESC=C(CCl)CN1CCOC(C)C1
InChIInChI=1S/C9H16ClNO/c1-8(5-10)6-11-3-4-12-9(2)7-11/h9H,1,3-7H2,2H3
InChIKeyIIIMBOGHYRYLAL-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 4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine?
The IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine (CID 103067572) is 4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine?
The canonical SMILES for 4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine is C=C(CCl)CN1CCOC(C)C1.
What is the InChIKey of 4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine?
The InChIKey is IIIMBOGHYRYLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(5-10)6-11-3-4-12-9(2)7-11/h9H,1,3-7H2,2H3.
What are the key properties of 4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine?
4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine 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 4-[2-(chloromethyl)prop-2-enyl]-2-methylmorpholine is sourced from PubChem (CID 103067572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).