2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride

C11H22ClNO2 — CID 173034526

IUPAC2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride
SMILESC=C(C)COC(CC)C1CNCCO1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-4-10(14-8-9(2)3)11-7-12-5-6-13-11;/h10-12H,2,4-8H2,1,3H3;1H
InChIKeySMTLKMLGRVUNTH-UHFFFAOYSA-N
MW235.75 g/mol
LogP1.77
Rot. Bonds5

About 2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride

2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride (PubChem CID 173034526) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride
PubChem CID173034526
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride
SMILESC=C(C)COC(CC)C1CNCCO1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-4-10(14-8-9(2)3)11-7-12-5-6-13-11;/h10-12H,2,4-8H2,1,3H3;1H
InChIKeySMTLKMLGRVUNTH-UHFFFAOYSA-N
XLogP1.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride?
The IUPAC name of 2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride (CID 173034526) is 2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride.
What is the SMILES notation for 2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride?
The canonical SMILES for 2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride is C=C(C)COC(CC)C1CNCCO1.Cl.
What is the InChIKey of 2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride?
The InChIKey is SMTLKMLGRVUNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-4-10(14-8-9(2)3)11-7-12-5-6-13-11;/h10-12H,2,4-8H2,1,3H3;1H.
What are the key properties of 2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride?
2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-2-enoxy)propyl]morpholine;hydrochloride is sourced from PubChem (CID 173034526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).