(E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride

C16H24ClNO2 — CID 45261861

IUPAC(E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride
SMILESCCN(CC)CCC(=O)/C=C/c1ccc(OC)cc1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-4-17(5-2)13-12-15(18)9-6-14-7-10-16(19-3)11-8-14;/h6-11H,4-5,12-13H2,1-3H3;1H/b9-6+;
InChIKeyIELBZHNHBBSKDH-MLBSPLJJSA-N
MW297.83 g/mol
LogP3.43
Rot. Bonds8

About (E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride

(E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride (PubChem CID 45261861) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is (E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride.

Molecular Properties

Compound Name(E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride
PubChem CID45261861
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name(E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride
SMILESCCN(CC)CCC(=O)/C=C/c1ccc(OC)cc1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-4-17(5-2)13-12-15(18)9-6-14-7-10-16(19-3)11-8-14;/h6-11H,4-5,12-13H2,1-3H3;1H/b9-6+;
InChIKeyIELBZHNHBBSKDH-MLBSPLJJSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.43
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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Related Compounds

(E)-5-(diethylamino)-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide
CID 5386927
(E)-5-(diethylamino)-1-(4-nitrophenyl)pent-1-en-3-one
CID 97355451
(E)-1-iodo-4-(4-methoxyphenyl)but-3-en-2-one
CID 102521319
(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 162400827
3-[ethyl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 61008451
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
CID 122220925
(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol
CID 6366807
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(3E,5E)-6-(4-methoxyphenyl)-4-methylhexa-3,5-dien-2-one
CID 135073117
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297

Frequently Asked Questions

What is the IUPAC name of (E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride?
The IUPAC name of (E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride (CID 45261861) is (E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride.
What is the SMILES notation for (E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride?
The canonical SMILES for (E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride is CCN(CC)CCC(=O)/C=C/c1ccc(OC)cc1.Cl.
What is the InChIKey of (E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride?
The InChIKey is IELBZHNHBBSKDH-MLBSPLJJSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-4-17(5-2)13-12-15(18)9-6-14-7-10-16(19-3)11-8-14;/h6-11H,4-5,12-13H2,1-3H3;1H/b9-6+;.
What are the key properties of (E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride?
(E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride is sourced from PubChem (CID 45261861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).