1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione

C11H15NO3 — CID 43346034

IUPAC1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(C2CCC(O)CC2)C1=O
InChIInChI=1S/C11H15NO3/c1-7-6-10(14)12(11(7)15)8-2-4-9(13)5-3-8/h6,8-9,13H,2-5H2,1H3
InChIKeyZKOYZRAGHNHCHK-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.61
Rot. Bonds1

About 1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione

1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione (PubChem CID 43346034) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione
PubChem CID43346034
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(C2CCC(O)CC2)C1=O
InChIInChI=1S/C11H15NO3/c1-7-6-10(14)12(11(7)15)8-2-4-9(13)5-3-8/h6,8-9,13H,2-5H2,1H3
InChIKeyZKOYZRAGHNHCHK-UHFFFAOYSA-N
XLogP0.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.61
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-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione (CID 43346034) is 1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(C2CCC(O)CC2)C1=O.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione?
The InChIKey is ZKOYZRAGHNHCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-6-10(14)12(11(7)15)8-2-4-9(13)5-3-8/h6,8-9,13H,2-5H2,1H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione?
1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione has a molecular weight of 209.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 43346034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).