(E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride

C16H22ClNO2 — CID 5386794

IUPAC(E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride
SMILESC/C(=C\c1ccccc1)C(=O)CCN1CCOCC1.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-14(13-15-5-3-2-4-6-15)16(18)7-8-17-9-11-19-12-10-17;/h2-6,13H,7-12H2,1H3;1H/b14-13+;
InChIKeyRYKXRRUMCTUJKO-IERUDJENSA-N
MW295.81 g/mol
LogP2.80
Rot. Bonds5

About (E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride

(E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride (PubChem CID 5386794) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride.

Molecular Properties

Compound Name(E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride
PubChem CID5386794
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride
SMILESC/C(=C\c1ccccc1)C(=O)CCN1CCOCC1.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-14(13-15-5-3-2-4-6-15)16(18)7-8-17-9-11-19-12-10-17;/h2-6,13H,7-12H2,1H3;1H/b14-13+;
InChIKeyRYKXRRUMCTUJKO-IERUDJENSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.80
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 (E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride?
The IUPAC name of (E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride (CID 5386794) is (E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride.
What is the SMILES notation for (E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride?
The canonical SMILES for (E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride is C/C(=C\c1ccccc1)C(=O)CCN1CCOCC1.Cl.
What is the InChIKey of (E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride?
The InChIKey is RYKXRRUMCTUJKO-IERUDJENSA-N. The full InChI is InChI=1S/C16H21NO2.ClH/c1-14(13-15-5-3-2-4-6-15)16(18)7-8-17-9-11-19-12-10-17;/h2-6,13H,7-12H2,1H3;1H/b14-13+;.
What are the key properties of (E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride?
(E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride is sourced from PubChem (CID 5386794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).