(3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione

C10H15NO3 — CID 124582682

IUPAC(3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione
SMILESO=C1C[C@H](O)C(=O)N1C1CCCCC1
InChIInChI=1S/C10H15NO3/c12-8-6-9(13)11(10(8)14)7-4-2-1-3-5-7/h7-8,12H,1-6H2/t8-/m0/s1
InChIKeyFFVVIMIYSWZECB-QMMMGPOBSA-N
MW197.23 g/mol
LogP0.44
Rot. Bonds1

About (3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione

(3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione (PubChem CID 124582682) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione
PubChem CID124582682
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione
SMILESO=C1C[C@H](O)C(=O)N1C1CCCCC1
InChIInChI=1S/C10H15NO3/c12-8-6-9(13)11(10(8)14)7-4-2-1-3-5-7/h7-8,12H,1-6H2/t8-/m0/s1
InChIKeyFFVVIMIYSWZECB-QMMMGPOBSA-N
XLogP0.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-3-hydroxypyrrolidine-2,5-dione
CID 289368
1-Cyclohexyl-3-hydroxypyrrolidin-2-one
CID 219256
1-Cyclohexyl-3-hydroxypyrrolidine-2,5-dione
CID 67674092
1-Cyclohexyl-3,4-dihydroxy-2,5-pyrrolidinedione
CID 4541077
1-Decyl-3-hydroxypyrrolidine-2,5-dione
CID 12858658
3-Hydroxy-1,1-bis(2-hydroxyethyl)pyrrolidin-1-ium-2,5-dione
CID 19962227
1-Hexyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 22961516
(3S)-1-ethyl-3-hydroxypyrrolidine-2,5-dione
CID 57811564
1-Cyclohexyl-4-hydroxypyrrolidin-2-one
CID 64156793
3-Hydroxy-1-pentylpyrrolidine-2,5-dione
CID 69257595
3-Hydroxy-1-propylpyrrolidine-2,5-dione
CID 86248906
(3R)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione
CID 89060190

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione (CID 124582682) is (3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione is O=C1C[C@H](O)C(=O)N1C1CCCCC1.
What is the InChIKey of (3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione?
The InChIKey is FFVVIMIYSWZECB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO3/c12-8-6-9(13)11(10(8)14)7-4-2-1-3-5-7/h7-8,12H,1-6H2/t8-/m0/s1.
What are the key properties of (3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione?
(3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexyl-3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 124582682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).