1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione

C14H15NO5 — CID 174813949

IUPAC1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione
SMILESO=C1C=CC(=O)N1C1CCCCC1.O=C1C=CC(=O)O1
InChIInChI=1S/C10H13NO2.C4H2O3/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;5-3-1-2-4(6)7-3/h6-8H,1-5H2;1-2H
InChIKeyGVRUUYDFYILFHM-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.87
Rot. Bonds1

About 1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione

1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione (PubChem CID 174813949) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione.

Molecular Properties

Compound Name1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione
PubChem CID174813949
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione
SMILESO=C1C=CC(=O)N1C1CCCCC1.O=C1C=CC(=O)O1
InChIInChI=1S/C10H13NO2.C4H2O3/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;5-3-1-2-4(6)7-3/h6-8H,1-5H2;1-2H
InChIKeyGVRUUYDFYILFHM-UHFFFAOYSA-N
XLogP0.87
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione?
The IUPAC name of 1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione (CID 174813949) is 1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione.
What is the SMILES notation for 1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione?
The canonical SMILES for 1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione is O=C1C=CC(=O)N1C1CCCCC1.O=C1C=CC(=O)O1.
What is the InChIKey of 1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione?
The InChIKey is GVRUUYDFYILFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C4H2O3/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;5-3-1-2-4(6)7-3/h6-8H,1-5H2;1-2H.
What are the key properties of 1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione?
1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione has a molecular weight of 277.28 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrrole-2,5-dione;furan-2,5-dione is sourced from PubChem (CID 174813949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).