(3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione

C21H20N2O3 — CID 3003591

IUPAC(3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione
SMILESO=C1/C(=C/N2CCOCC2)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H20N2O3/c24-20-18(15-22-11-13-26-14-12-22)21(25)23(17-9-5-2-6-10-17)19(20)16-7-3-1-4-8-16/h1-10,15,19H,11-14H2/b18-15-
InChIKeyRGUYNKZWPSXBTA-SDXDJHTJSA-N
MW348.40 g/mol
LogP2.56
Rot. Bonds3

About (3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione

(3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione (PubChem CID 3003591) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione
PubChem CID3003591
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione
SMILESO=C1/C(=C/N2CCOCC2)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H20N2O3/c24-20-18(15-22-11-13-26-14-12-22)21(25)23(17-9-5-2-6-10-17)19(20)16-7-3-1-4-8-16/h1-10,15,19H,11-14H2/b18-15-
InChIKeyRGUYNKZWPSXBTA-SDXDJHTJSA-N
XLogP2.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one
CID 162399829
4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
CID 14084640
7-methoxy-4-(morpholin-4-ylmethylidene)-2-phenylisoquinoline-1,3-dione
CID 4306547
3-[2-(3-morpholin-4-ylpropoxyimino)propylidene]-1,4-diphenylazetidin-2-one
CID 173391050
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 10337318
(5E)-1-(3-methoxyphenyl)-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 73253710
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
(4E,5S)-4-[hydroxy(phenyl)methylidene]-1,5-diphenylpyrrolidine-2,3-dione
CID 5441812
3-bromo-4-methoxy-1,2-diphenyl-2H-pyrrol-5-one
CID 14790403
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
2-(4-bromophenyl)-5-methyl-4-(morpholin-4-ylmethylidene)pyrazol-3-one
CID 1116724

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione?
The IUPAC name of (3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione (CID 3003591) is (3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione.
What is the SMILES notation for (3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione?
The canonical SMILES for (3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione is O=C1/C(=C/N2CCOCC2)C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of (3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione?
The InChIKey is RGUYNKZWPSXBTA-SDXDJHTJSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20-18(15-22-11-13-26-14-12-22)21(25)23(17-9-5-2-6-10-17)19(20)16-7-3-1-4-8-16/h1-10,15,19H,11-14H2/b18-15-.
What are the key properties of (3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione?
(3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(morpholin-4-ylmethylidene)-1,5-diphenylpyrrolidine-2,4-dione is sourced from PubChem (CID 3003591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).