(E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one

C18H25NO2 — CID 110631051

IUPAC(E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one
SMILESCc1ccc(/C(=C/C(=O)N2CCOCC2C)C(C)C)cc1
InChIInChI=1S/C18H25NO2/c1-13(2)17(16-7-5-14(3)6-8-16)11-18(20)19-9-10-21-12-15(19)4/h5-8,11,13,15H,9-10,12H2,1-4H3/b17-11+
InChIKeyLPHQSQHQIOJIIA-GZTJUZNOSA-N
MW287.40 g/mol
LogP3.28
Rot. Bonds3

About (E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one

(E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one (PubChem CID 110631051) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one.

Molecular Properties

Compound Name(E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one
PubChem CID110631051
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one
SMILESCc1ccc(/C(=C/C(=O)N2CCOCC2C)C(C)C)cc1
InChIInChI=1S/C18H25NO2/c1-13(2)17(16-7-5-14(3)6-8-16)11-18(20)19-9-10-21-12-15(19)4/h5-8,11,13,15H,9-10,12H2,1-4H3/b17-11+
InChIKeyLPHQSQHQIOJIIA-GZTJUZNOSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.28
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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Related Compounds

3-methyl-1-(3-methylmorpholin-4-yl)but-2-en-1-one
CID 130157030
(E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one
CID 110407781
1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea
CID 110614358
(E)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-(4-methylphenyl)pent-2-en-1-one
CID 110414452
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249
(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 47168279
1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene
CID 171499293
(2-bromo-4-methylphenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832539
1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110614359
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one?
The IUPAC name of (E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one (CID 110631051) is (E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one.
What is the SMILES notation for (E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one?
The canonical SMILES for (E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one is Cc1ccc(/C(=C/C(=O)N2CCOCC2C)C(C)C)cc1.
What is the InChIKey of (E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one?
The InChIKey is LPHQSQHQIOJIIA-GZTJUZNOSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(2)17(16-7-5-14(3)6-8-16)11-18(20)19-9-10-21-12-15(19)4/h5-8,11,13,15H,9-10,12H2,1-4H3/b17-11+.
What are the key properties of (E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one?
(E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one has a molecular weight of 287.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one is sourced from PubChem (CID 110631051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).