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

C20H31N2O3+ — CID 7455593

IUPAC(3R)-1-cyclohexyl-3-[(1S)-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)N1C1CCCCC1
InChIInChI=1S/C20H30N2O3/c23-19-14-17(20(24)22(19)15-6-2-1-3-7-15)16-8-4-5-9-18(16)21-10-12-25-13-11-21/h9,15-17H,1-8,10-14H2/p+1/t16-,17+/m0/s1
InChIKeyMXERHNYIYPIRJW-DLBZAZTESA-O
MW347.48 g/mol
LogP1.29
Rot. Bonds3

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

(3R)-1-cyclohexyl-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione (PubChem CID 7455593) has the molecular formula C20H31N2O3+ and a molecular weight of 347.48 g/mol. Its IUPAC name is (3R)-1-cyclohexyl-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-cyclohexyl-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
PubChem CID7455593
Molecular FormulaC20H31N2O3+
Molecular Weight347.48 g/mol
Exact Mass347.23
IUPAC Name(3R)-1-cyclohexyl-3-[(1S)-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)N1C1CCCCC1
InChIInChI=1S/C20H30N2O3/c23-19-14-17(20(24)22(19)15-6-2-1-3-7-15)16-8-4-5-9-18(16)21-10-12-25-13-11-21/h9,15-17H,1-8,10-14H2/p+1/t16-,17+/m0/s1
InChIKeyMXERHNYIYPIRJW-DLBZAZTESA-O
XLogP1.29
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-1-cyclohexyl-3-[(1S)-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

(3R)-1-benzyl-3-[(1R)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
CID 7455616
(3S)-1-(4-ethylphenyl)-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
CID 7223208
(3R)-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 7455700
(3R)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
CID 7455717
(3S)-1-(4-methylphenyl)-3-[(1S)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione
CID 7455728
(3aR,7aS)-5-chloro-2-cyclohexyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 701541
(3aR,7aS)-2-cyclohexyl-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 757840
1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947183
(3R)-1-cyclopentyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 7455923
3-anilino-1-cycloheptylpyrrolidine-2,5-dione
CID 43637260
1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione
CID 43637603
(3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 129493358

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclohexyl-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-cyclohexyl-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione (CID 7455593) is (3R)-1-cyclohexyl-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-cyclohexyl-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-cyclohexyl-3-[(1S)-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)N1C1CCCCC1.
What is the InChIKey of (3R)-1-cyclohexyl-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione?
The InChIKey is MXERHNYIYPIRJW-DLBZAZTESA-O. The full InChI is InChI=1S/C20H30N2O3/c23-19-14-17(20(24)22(19)15-6-2-1-3-7-15)16-8-4-5-9-18(16)21-10-12-25-13-11-21/h9,15-17H,1-8,10-14H2/p+1/t16-,17+/m0/s1.
What are the key properties of (3R)-1-cyclohexyl-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione?
(3R)-1-cyclohexyl-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione has a molecular weight of 347.48 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclohexyl-3-[(1S)-2-morpholin-4-ium-4-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7455593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).