3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione

C14H16N2O4 — CID 19810776

IUPAC3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione
SMILESO=C1C=C(C2CCCCC2)C(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/C10H13NO2.C4H3NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7;6-3-1-2-4(7)5-3/h6-7H,1-5H2,(H,11,12,13);1-2H,(H,5,6,7)
InChIKeyOOQIKVGJOVSZCW-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.35
Rot. Bonds1

About 3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione

3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione (PubChem CID 19810776) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione.

Molecular Properties

Compound Name3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione
PubChem CID19810776
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione
SMILESO=C1C=C(C2CCCCC2)C(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/C10H13NO2.C4H3NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7;6-3-1-2-4(7)5-3/h6-7H,1-5H2,(H,11,12,13);1-2H,(H,5,6,7)
InChIKeyOOQIKVGJOVSZCW-UHFFFAOYSA-N
XLogP0.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.35
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 3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione?
The IUPAC name of 3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione (CID 19810776) is 3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione.
What is the SMILES notation for 3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione?
The canonical SMILES for 3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione is O=C1C=C(C2CCCCC2)C(=O)N1.O=C1C=CC(=O)N1.
What is the InChIKey of 3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione?
The InChIKey is OOQIKVGJOVSZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C4H3NO2/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7;6-3-1-2-4(7)5-3/h6-7H,1-5H2,(H,11,12,13);1-2H,(H,5,6,7).
What are the key properties of 3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione?
3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione has a molecular weight of 276.29 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpyrrole-2,5-dione;pyrrole-2,5-dione is sourced from PubChem (CID 19810776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).