1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione

C11H17NO3 — CID 106131646

IUPAC1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC1CCCC(O)C1
InChIInChI=1S/C11H17NO3/c13-9-3-1-2-8(6-9)7-12-10(14)4-5-11(12)15/h8-9,13H,1-7H2
InChIKeyZMEPPUZUCYTEOS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.69
Rot. Bonds2

About 1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione

1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione (PubChem CID 106131646) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione
PubChem CID106131646
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CC1CCCC(O)C1
InChIInChI=1S/C11H17NO3/c13-9-3-1-2-8(6-9)7-12-10(14)4-5-11(12)15/h8-9,13H,1-7H2
InChIKeyZMEPPUZUCYTEOS-UHFFFAOYSA-N
XLogP0.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione (CID 106131646) is 1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CC1CCCC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is ZMEPPUZUCYTEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-9-3-1-2-8(6-9)7-12-10(14)4-5-11(12)15/h8-9,13H,1-7H2.
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione?
1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 106131646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).