1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione

C10H15NO4 — CID 4541077

IUPAC1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione
SMILESO=C1C(O)C(O)C(=O)N1C1CCCCC1
InChIInChI=1S/C10H15NO4/c12-7-8(13)10(15)11(9(7)14)6-4-2-1-3-5-6/h6-8,12-13H,1-5H2
InChIKeyAVZHVTOLSZNEPA-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.59
Rot. Bonds1

About 1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione

1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione (PubChem CID 4541077) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione
PubChem CID4541077
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione
SMILESO=C1C(O)C(O)C(=O)N1C1CCCCC1
InChIInChI=1S/C10H15NO4/c12-7-8(13)10(15)11(9(7)14)6-4-2-1-3-5-6/h6-8,12-13H,1-5H2
InChIKeyAVZHVTOLSZNEPA-UHFFFAOYSA-N
XLogP-0.59
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
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 1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione (CID 4541077) is 1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione is O=C1C(O)C(O)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione?
The InChIKey is AVZHVTOLSZNEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-7-8(13)10(15)11(9(7)14)6-4-2-1-3-5-6/h6-8,12-13H,1-5H2.
What are the key properties of 1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione?
1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione has a molecular weight of 213.23 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,4-dihydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 4541077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).