(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione

C12H19NO4 — CID 140609861

IUPAC(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione
SMILESCCO[C@@H]1CCCC[C@H]1N1C(=O)C[C@@H](O)C1=O
InChIInChI=1S/C12H19NO4/c1-2-17-10-6-4-3-5-8(10)13-11(15)7-9(14)12(13)16/h8-10,14H,2-7H2,1H3/t8-,9-,10-/m1/s1
InChIKeyYAXFJKWGLJWJBC-OPRDCNLKSA-N
MW241.29 g/mol
LogP0.45
Rot. Bonds3

About (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione

(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione (PubChem CID 140609861) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione
PubChem CID140609861
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione
SMILESCCO[C@@H]1CCCC[C@H]1N1C(=O)C[C@@H](O)C1=O
InChIInChI=1S/C12H19NO4/c1-2-17-10-6-4-3-5-8(10)13-11(15)7-9(14)12(13)16/h8-10,14H,2-7H2,1H3/t8-,9-,10-/m1/s1
InChIKeyYAXFJKWGLJWJBC-OPRDCNLKSA-N
XLogP0.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexyl-3-hydroxypyrrolidine-2,5-dione
CID 67674092
[(3R)-1-[(1S,2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 58798140
(3R)-1-((1R,2R)-2-Hydroxycyclohex-1-yl)-2,5-dioxopyrrolidin-3-yl acetate
CID 58856246
[3-deuterio-1-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 58856253
[(3R)-1-[(1R,2S)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 59383507
[(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate
CID 66687374
[1-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 68453982
(3R)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione
CID 89060190
(3R)-3-hydroxy-1-[(1R,2R)-2-propoxycyclohexyl]pyrrolidine-2,5-dione
CID 89630499
(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium
CID 140609860
[(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 143380202
1-(2-Cyclohexyloxyethyl)-4-hydroxypyrrolidin-2-one
CID 64158556

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione (CID 140609861) is (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione is CCO[C@@H]1CCCC[C@H]1N1C(=O)C[C@@H](O)C1=O.
What is the InChIKey of (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione?
The InChIKey is YAXFJKWGLJWJBC-OPRDCNLKSA-N. The full InChI is InChI=1S/C12H19NO4/c1-2-17-10-6-4-3-5-8(10)13-11(15)7-9(14)12(13)16/h8-10,14H,2-7H2,1H3/t8-,9-,10-/m1/s1.
What are the key properties of (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione?
(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione has a molecular weight of 241.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 140609861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).