(3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione

C21H27N2O3+ — CID 7455616

IUPAC(3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H]([C@H]2CCCC=C2[NH+]2CCOCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H26N2O3/c24-20-14-18(21(25)23(20)15-16-6-2-1-3-7-16)17-8-4-5-9-19(17)22-10-12-26-13-11-22/h1-3,6-7,9,17-18H,4-5,8,10-15H2/p+1/t17-,18-/m1/s1
InChIKeyUXOMCKBUZWTLOF-QZTJIDSGSA-O
MW355.46 g/mol
LogP1.16
Rot. Bonds4

About (3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione

(3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione (PubChem CID 7455616) has the molecular formula C21H27N2O3+ and a molecular weight of 355.46 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
PubChem CID7455616
Molecular FormulaC21H27N2O3+
Molecular Weight355.46 g/mol
Exact Mass355.20
IUPAC Name(3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H]([C@H]2CCCC=C2[NH+]2CCOCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H26N2O3/c24-20-14-18(21(25)23(20)15-16-6-2-1-3-7-16)17-8-4-5-9-19(17)22-10-12-26-13-11-22/h1-3,6-7,9,17-18H,4-5,8,10-15H2/p+1/t17-,18-/m1/s1
InChIKeyUXOMCKBUZWTLOF-QZTJIDSGSA-O
XLogP1.16
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-(4-ethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
CID 7223208
(3R)-1-cyclohexyl-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
CID 7455593
(3R)-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 7455700
1-benzyl-3a,4,5,6-tetrahydro-3H-indol-2-one
CID 101011674
(3aS,6aR)-5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione
CID 139215242
(3S)-1-benzyl-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 6923630
(4aS,7aR)-6-benzyl-1-oxido-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridin-1-ium-5,7-dione
CID 141405752
1-benzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4,5-trione
CID 7911108
5-benzyl-1,2,3,3a,7,7a-hexahydropyrrolo[3,4-c]pyridine-4,6-dione
CID 19691399
(3aS,7aS)-2-benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 701534
(3aR,7aR)-2-benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 701536
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione (CID 7455616) is (3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione is O=C1C[C@H]([C@H]2CCCC=C2[NH+]2CCOCC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione?
The InChIKey is UXOMCKBUZWTLOF-QZTJIDSGSA-O. The full InChI is InChI=1S/C21H26N2O3/c24-20-14-18(21(25)23(20)15-16-6-2-1-3-7-16)17-8-4-5-9-19(17)22-10-12-26-13-11-22/h1-3,6-7,9,17-18H,4-5,8,10-15H2/p+1/t17-,18-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione?
(3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione has a molecular weight of 355.46 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7455616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).