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

C12H18NO4Y- — CID 140609860

IUPAC(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium
SMILES[CH2-]CO[C@@H]1CCCC[C@H]1N1C(=O)C[C@@H](O)C1=O.[Y]
InChIInChI=1S/C12H18NO4.Y/c1-2-17-10-6-4-3-5-8(10)13-11(15)7-9(14)12(13)16;/h8-10,14H,1-7H2;/q-1;/t8-,9-,10-;/m1./s1
InChIKeyDIFJLNWQVJAZCK-RWDYHCJXSA-N
MW329.19 g/mol
LogP0.27
Rot. Bonds3

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

(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium (PubChem CID 140609860) has the molecular formula C12H18NO4Y- and a molecular weight of 329.19 g/mol. Its IUPAC name is (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium.

Molecular Properties

Compound Name(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium
PubChem CID140609860
Molecular FormulaC12H18NO4Y-
Molecular Weight329.19 g/mol
Exact Mass329.03
IUPAC Name(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium
SMILES[CH2-]CO[C@@H]1CCCC[C@H]1N1C(=O)C[C@@H](O)C1=O.[Y]
InChIInChI=1S/C12H18NO4.Y/c1-2-17-10-6-4-3-5-8(10)13-11(15)7-9(14)12(13)16;/h8-10,14H,1-7H2;/q-1;/t8-,9-,10-;/m1./s1
InChIKeyDIFJLNWQVJAZCK-RWDYHCJXSA-N
XLogP0.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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
[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-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 143380202
1-(2-Cyclohexyloxyethyl)-4-hydroxypyrrolidin-2-one
CID 64158556
4-Hydroxy-1-(2-hydroxycyclohexyl)pyrrolidin-2-one
CID 64159660
(3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione
CID 124582682

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium?
The IUPAC name of (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium (CID 140609860) is (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium.
What is the SMILES notation for (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium?
The canonical SMILES for (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium is [CH2-]CO[C@@H]1CCCC[C@H]1N1C(=O)C[C@@H](O)C1=O.[Y].
What is the InChIKey of (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium?
The InChIKey is DIFJLNWQVJAZCK-RWDYHCJXSA-N. The full InChI is InChI=1S/C12H18NO4.Y/c1-2-17-10-6-4-3-5-8(10)13-11(15)7-9(14)12(13)16;/h8-10,14H,1-7H2;/q-1;/t8-,9-,10-;/m1./s1.
What are the key properties of (3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium?
(3R)-1-[(1R,2R)-2-ethoxycyclohexyl]-3-hydroxypyrrolidine-2,5-dione;yttrium has a molecular weight of 329.19 g/mol, XLogP of 0.27, 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;yttrium is sourced from PubChem (CID 140609860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).