(E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one

C19H27NO2 — CID 110407781

IUPAC(E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one
SMILESCC(C)/C(=C\C(=O)N1CCOCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H27NO2/c1-14(2)16-5-7-17(8-6-16)18(15(3)4)13-19(21)20-9-11-22-12-10-20/h5-8,13-15H,9-12H2,1-4H3/b18-13+
InChIKeyNENJQGAZJMRQEE-QGOAFFKASA-N
MW301.43 g/mol
LogP3.71
Rot. Bonds4

About (E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one

(E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one (PubChem CID 110407781) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one.

Molecular Properties

Compound Name(E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one
PubChem CID110407781
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one
SMILESCC(C)/C(=C\C(=O)N1CCOCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H27NO2/c1-14(2)16-5-7-17(8-6-16)18(15(3)4)13-19(21)20-9-11-22-12-10-20/h5-8,13-15H,9-12H2,1-4H3/b18-13+
InChIKeyNENJQGAZJMRQEE-QGOAFFKASA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.71
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-morpholin-4-yl-1-(4-propan-2-ylphenyl)prop-2-yn-1-one
CID 116825789
(E)-4-methyl-1-(3-methylmorpholin-4-yl)-3-(4-methylphenyl)pent-2-en-1-one
CID 110631051
2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one
CID 110674004
(E)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-(4-methylphenyl)pent-2-en-1-one
CID 110414452
morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
CID 166901168
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide
CID 108880527
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
(2,2-dimethyl-3-morpholin-4-ylpropyl) 4-propan-2-ylbenzoate
CID 23792212
oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 81212043

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one?
The IUPAC name of (E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one (CID 110407781) is (E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one.
What is the SMILES notation for (E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one?
The canonical SMILES for (E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one is CC(C)/C(=C\C(=O)N1CCOCC1)c1ccc(C(C)C)cc1.
What is the InChIKey of (E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one?
The InChIKey is NENJQGAZJMRQEE-QGOAFFKASA-N. The full InChI is InChI=1S/C19H27NO2/c1-14(2)16-5-7-17(8-6-16)18(15(3)4)13-19(21)20-9-11-22-12-10-20/h5-8,13-15H,9-12H2,1-4H3/b18-13+.
What are the key properties of (E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one?
(E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one has a molecular weight of 301.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)pent-2-en-1-one is sourced from PubChem (CID 110407781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).