(E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one

C19H24N2O3 — CID 110305890

IUPAC(E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
SMILESC/C(=C\C(=O)N1CCC[C@H]1C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-15(16-6-3-2-4-7-16)14-18(22)21-9-5-8-17(21)19(23)20-10-12-24-13-11-20/h2-4,6-7,14,17H,5,8-13H2,1H3/b15-14+/t17-/m0/s1
InChIKeyXPPLEAZQYLNQGG-ZWKQNVPVSA-N
MW328.41 g/mol
LogP1.94
Rot. Bonds3

About (E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one

(E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one (PubChem CID 110305890) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
PubChem CID110305890
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
SMILESC/C(=C\C(=O)N1CCC[C@H]1C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C19H24N2O3/c1-15(16-6-3-2-4-7-16)14-18(22)21-9-5-8-17(21)19(23)20-10-12-24-13-11-20/h2-4,6-7,14,17H,5,8-13H2,1H3/b15-14+/t17-/m0/s1
InChIKeyXPPLEAZQYLNQGG-ZWKQNVPVSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.94
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)-1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 110305827
(Z)-1-[(5aR,8aR)-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl]-3-phenylbut-2-en-1-one
CID 95980449
(E)-1-(2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl)-3-phenylbut-2-en-1-one
CID 132969354
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 86251212
(Z)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 99698505
[(2S)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110285997
3-(4-fluorophenyl)-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71862195
(E)-3-(4-chlorophenyl)-2-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 110305915
2-bromo-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 114328107
(E)-3-phenyl-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]but-2-en-1-one
CID 94645878
2-methyl-N-[3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]propanamide
CID 131894338
(E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 110619017

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one?
The IUPAC name of (E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one (CID 110305890) is (E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one.
What is the SMILES notation for (E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one?
The canonical SMILES for (E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one is C/C(=C\C(=O)N1CCC[C@H]1C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of (E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one?
The InChIKey is XPPLEAZQYLNQGG-ZWKQNVPVSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15(16-6-3-2-4-7-16)14-18(22)21-9-5-8-17(21)19(23)20-10-12-24-13-11-20/h2-4,6-7,14,17H,5,8-13H2,1H3/b15-14+/t17-/m0/s1.
What are the key properties of (E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one?
(E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one has a molecular weight of 328.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one is sourced from PubChem (CID 110305890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).