5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride

C11H20ClNO2 — CID 3028622

IUPAC5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride
SMILESCC(C)=CC(=O)CCN1CCOCC1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;/h9H,3-8H2,1-2H3;1H
InChIKeyMPQRHHXSPKLRPY-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.67
Rot. Bonds4

About 5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride

5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride (PubChem CID 3028622) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride
PubChem CID3028622
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride
SMILESCC(C)=CC(=O)CCN1CCOCC1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;/h9H,3-8H2,1-2H3;1H
InChIKeyMPQRHHXSPKLRPY-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride?
The IUPAC name of 5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride (CID 3028622) is 5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride.
What is the SMILES notation for 5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride?
The canonical SMILES for 5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride is CC(C)=CC(=O)CCN1CCOCC1.Cl.
What is the InChIKey of 5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride?
The InChIKey is MPQRHHXSPKLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;/h9H,3-8H2,1-2H3;1H.
What are the key properties of 5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride?
5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-morpholin-4-ylhex-4-en-3-one;hydrochloride is sourced from PubChem (CID 3028622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).