(3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione

C18H23NO4 — CID 118531813

IUPAC(3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](O)C(=O)N1[C@@H]1CCCC[C@@H]1OCCc1ccccc1
InChIInChI=1S/C18H23NO4/c20-15-12-17(21)19(18(15)22)14-8-4-5-9-16(14)23-11-10-13-6-2-1-3-7-13/h1-3,6-7,14-16,20H,4-5,8-12H2/t14-,15-,16+/m1/s1
InChIKeyBERIVMDGUMPRJQ-OAGGEKHMSA-N
MW317.38 g/mol
LogP1.68
Rot. Bonds5

About (3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione

(3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione (PubChem CID 118531813) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione
PubChem CID118531813
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](O)C(=O)N1[C@@H]1CCCC[C@@H]1OCCc1ccccc1
InChIInChI=1S/C18H23NO4/c20-15-12-17(21)19(18(15)22)14-8-4-5-9-16(14)23-11-10-13-6-2-1-3-7-13/h1-3,6-7,14-16,20H,4-5,8-12H2/t14-,15-,16+/m1/s1
InChIKeyBERIVMDGUMPRJQ-OAGGEKHMSA-N
XLogP1.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione (CID 118531813) is (3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione is O=C1C[C@@H](O)C(=O)N1[C@@H]1CCCC[C@@H]1OCCc1ccccc1.
What is the InChIKey of (3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione?
The InChIKey is BERIVMDGUMPRJQ-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H23NO4/c20-15-12-17(21)19(18(15)22)14-8-4-5-9-16(14)23-11-10-13-6-2-1-3-7-13/h1-3,6-7,14-16,20H,4-5,8-12H2/t14-,15-,16+/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione?
(3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione has a molecular weight of 317.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[(1R,2S)-2-(2-phenylethoxy)cyclohexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 118531813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).