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

C10H18ClNO — CID 103067650

IUPAC4-[2-(chloromethyl)prop-2-enyl]-2-ethylmorpholine
SMILESC=C(CCl)CN1CCOC(CC)C1
InChIInChI=1S/C10H18ClNO/c1-3-10-8-12(4-5-13-10)7-9(2)6-11/h10H,2-8H2,1H3
InChIKeySBUFSFOXBOFZTD-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.89
Rot. Bonds4

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

4-[2-(chloromethyl)prop-2-enyl]-2-ethylmorpholine (PubChem CID 103067650) 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-ethylmorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)prop-2-enyl]-2-ethylmorpholine
PubChem CID103067650
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4-[2-(chloromethyl)prop-2-enyl]-2-ethylmorpholine
SMILESC=C(CCl)CN1CCOC(CC)C1
InChIInChI=1S/C10H18ClNO/c1-3-10-8-12(4-5-13-10)7-9(2)6-11/h10H,2-8H2,1H3
InChIKeySBUFSFOXBOFZTD-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-[2-(chloromethyl)prop-2-enyl]-2-ethylmorpholine?
The IUPAC name of 4-[2-(chloromethyl)prop-2-enyl]-2-ethylmorpholine (CID 103067650) is 4-[2-(chloromethyl)prop-2-enyl]-2-ethylmorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)prop-2-enyl]-2-ethylmorpholine?
The canonical SMILES for 4-[2-(chloromethyl)prop-2-enyl]-2-ethylmorpholine is C=C(CCl)CN1CCOC(CC)C1.
What is the InChIKey of 4-[2-(chloromethyl)prop-2-enyl]-2-ethylmorpholine?
The InChIKey is SBUFSFOXBOFZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-3-10-8-12(4-5-13-10)7-9(2)6-11/h10H,2-8H2,1H3.
What are the key properties of 4-[2-(chloromethyl)prop-2-enyl]-2-ethylmorpholine?
4-[2-(chloromethyl)prop-2-enyl]-2-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-[2-(chloromethyl)prop-2-enyl]-2-ethylmorpholine is sourced from PubChem (CID 103067650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).