(3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione

C14H16ClN2O3+ — CID 6925308

IUPAC(3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H]([NH+]2CCOCC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O3/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,12H,5-9H2/p+1/t12-/m1/s1
InChIKeyVUUYIVFBZHZPAH-GFCCVEGCSA-O
MW295.75 g/mol
LogP-0.11
Rot. Bonds2

About (3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione

(3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione (PubChem CID 6925308) has the molecular formula C14H16ClN2O3+ and a molecular weight of 295.75 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
PubChem CID6925308
Molecular FormulaC14H16ClN2O3+
Molecular Weight295.75 g/mol
Exact Mass295.08
IUPAC Name(3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H]([NH+]2CCOCC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O3/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,12H,5-9H2/p+1/t12-/m1/s1
InChIKeyVUUYIVFBZHZPAH-GFCCVEGCSA-O
XLogP-0.11
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 6944442
(3R)-1-(4-chlorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7465030
1-[4-[chloro(difluoro)methoxy]phenyl]-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 4047802
1-(4-chlorophenyl)-3-(4-ethylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione
CID 4200118
(3S)-1-(4-chlorophenyl)-3-(4-cyclohexylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione
CID 6979642
3-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione
CID 5054251
(3S)-1-(4-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 6965108
(3R)-1-(3,5-dichlorophenyl)-3-[4-[(3S)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6982522
ethyl 2-[4-[(3S)-3-morpholin-4-ium-4-yl-2,5-dioxopyrrolidin-1-yl]phenyl]acetate
CID 7323101
(3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 6922502
(3R)-1-(4-chlorophenyl)-3-[4-(4-fluoroanilino)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7298611
(3S)-3-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2122868

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione (CID 6925308) is (3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione is O=C1C[C@@H]([NH+]2CCOCC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione?
The InChIKey is VUUYIVFBZHZPAH-GFCCVEGCSA-O. The full InChI is InChI=1S/C14H15ClN2O3/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,12H,5-9H2/p+1/t12-/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione?
(3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione has a molecular weight of 295.75 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 6925308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).