3-ethyl-4-prop-2-enylmorpholine;hydrochloride

C9H18ClNO — CID 141153677

IUPAC3-ethyl-4-prop-2-enylmorpholine;hydrochloride
SMILESC=CCN1CCOCC1CC.Cl
InChIInChI=1S/C9H17NO.ClH/c1-3-5-10-6-7-11-8-9(10)4-2;/h3,9H,1,4-8H2,2H3;1H
InChIKeyMAWSVXRSVOBCGG-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.71
Rot. Bonds3

About 3-ethyl-4-prop-2-enylmorpholine;hydrochloride

3-ethyl-4-prop-2-enylmorpholine;hydrochloride (PubChem CID 141153677) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 3-ethyl-4-prop-2-enylmorpholine;hydrochloride.

Molecular Properties

Compound Name3-ethyl-4-prop-2-enylmorpholine;hydrochloride
PubChem CID141153677
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name3-ethyl-4-prop-2-enylmorpholine;hydrochloride
SMILESC=CCN1CCOCC1CC.Cl
InChIInChI=1S/C9H17NO.ClH/c1-3-5-10-6-7-11-8-9(10)4-2;/h3,9H,1,4-8H2,2H3;1H
InChIKeyMAWSVXRSVOBCGG-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-prop-2-enylmorpholine;hydrochloride?
The IUPAC name of 3-ethyl-4-prop-2-enylmorpholine;hydrochloride (CID 141153677) is 3-ethyl-4-prop-2-enylmorpholine;hydrochloride.
What is the SMILES notation for 3-ethyl-4-prop-2-enylmorpholine;hydrochloride?
The canonical SMILES for 3-ethyl-4-prop-2-enylmorpholine;hydrochloride is C=CCN1CCOCC1CC.Cl.
What is the InChIKey of 3-ethyl-4-prop-2-enylmorpholine;hydrochloride?
The InChIKey is MAWSVXRSVOBCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-3-5-10-6-7-11-8-9(10)4-2;/h3,9H,1,4-8H2,2H3;1H.
What are the key properties of 3-ethyl-4-prop-2-enylmorpholine;hydrochloride?
3-ethyl-4-prop-2-enylmorpholine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-prop-2-enylmorpholine;hydrochloride is sourced from PubChem (CID 141153677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).