2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride

C8H14ClNO2 — CID 156752886

IUPAC2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride
SMILESC=C(C)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-7(2)8(10)9-3-5-11-6-4-9;/h1,3-6H2,2H3;1H
InChIKeyLKUWIQGBOZTBSI-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.84
Rot. Bonds1

About 2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride

2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride (PubChem CID 156752886) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride
PubChem CID156752886
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride
SMILESC=C(C)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-7(2)8(10)9-3-5-11-6-4-9;/h1,3-6H2,2H3;1H
InChIKeyLKUWIQGBOZTBSI-UHFFFAOYSA-N
XLogP0.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride?
The IUPAC name of 2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride (CID 156752886) is 2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride.
What is the SMILES notation for 2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride?
The canonical SMILES for 2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride is C=C(C)C(=O)N1CCOCC1.Cl.
What is the InChIKey of 2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride?
The InChIKey is LKUWIQGBOZTBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-7(2)8(10)9-3-5-11-6-4-9;/h1,3-6H2,2H3;1H.
What are the key properties of 2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride?
2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-ylprop-2-en-1-one;hydrochloride is sourced from PubChem (CID 156752886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).