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

C14H16ClN2O3+ — CID 6944442

IUPAC(3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H]([NH+]2CCOCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O3/c15-10-2-1-3-11(8-10)17-13(18)9-12(14(17)19)16-4-6-20-7-5-16/h1-3,8,12H,4-7,9H2/p+1/t12-/m0/s1
InChIKeyMTSSENIRHIPGNK-LBPRGKRZSA-O
MW295.75 g/mol
LogP-0.11
Rot. Bonds2

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

(3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione (PubChem CID 6944442) has the molecular formula C14H16ClN2O3+ and a molecular weight of 295.75 g/mol. Its IUPAC name is (3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
PubChem CID6944442
Molecular FormulaC14H16ClN2O3+
Molecular Weight295.75 g/mol
Exact Mass295.08
IUPAC Name(3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H]([NH+]2CCOCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O3/c15-10-2-1-3-11(8-10)17-13(18)9-12(14(17)19)16-4-6-20-7-5-16/h1-3,8,12H,4-7,9H2/p+1/t12-/m0/s1
InChIKeyMTSSENIRHIPGNK-LBPRGKRZSA-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

1-(3-chlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 4743399
(3R)-1-(4-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 6925308
1-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate
CID 2059464
(3R)-1-(3-chlorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 2091980
2-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-yl]phenolate
CID 3406381
(3S)-1-(3-chlorophenyl)-3-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 6978513
(3S)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 6982477
(3S)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 6991523
(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
(3S)-1-(3-methylphenyl)-3-[4-[(3S)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione
CID 6962996
1-(3,4-dichlorophenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 4753360
(3R)-1-(3,4-dichlorophenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 6922502

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione (CID 6944442) is (3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione is O=C1C[C@H]([NH+]2CCOCC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione?
The InChIKey is MTSSENIRHIPGNK-LBPRGKRZSA-O. The full InChI is InChI=1S/C14H15ClN2O3/c15-10-2-1-3-11(8-10)17-13(18)9-12(14(17)19)16-4-6-20-7-5-16/h1-3,8,12H,4-7,9H2/p+1/t12-/m0/s1.
What are the key properties of (3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione?
(3S)-1-(3-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 (3S)-1-(3-chlorophenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 6944442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).