3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione

C10H16N2O3 — CID 43637680

IUPAC3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCC(O)CC2)C(=O)N1
InChIInChI=1S/C10H16N2O3/c13-7-3-1-6(2-4-7)11-8-5-9(14)12-10(8)15/h6-8,11,13H,1-5H2,(H,12,14,15)
InChIKeyDGUFDLDSUYVPCH-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.71
Rot. Bonds2

About 3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione

3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione (PubChem CID 43637680) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione
PubChem CID43637680
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione
SMILESO=C1CC(NC2CCC(O)CC2)C(=O)N1
InChIInChI=1S/C10H16N2O3/c13-7-3-1-6(2-4-7)11-8-5-9(14)12-10(8)15/h6-8,11,13H,1-5H2,(H,12,14,15)
InChIKeyDGUFDLDSUYVPCH-UHFFFAOYSA-N
XLogP-0.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
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 3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione (CID 43637680) is 3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione is O=C1CC(NC2CCC(O)CC2)C(=O)N1.
What is the InChIKey of 3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione?
The InChIKey is DGUFDLDSUYVPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-7-3-1-6(2-4-7)11-8-5-9(14)12-10(8)15/h6-8,11,13H,1-5H2,(H,12,14,15).
What are the key properties of 3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione?
3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxycyclohexyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 43637680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).