3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione

C14H14N2O4 — CID 67848100

IUPAC3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione
SMILESO=C1C=C(C2(C3=CC(=O)NC3=O)CCCCC2)C(=O)N1
InChIInChI=1S/C14H14N2O4/c17-10-6-8(12(19)15-10)14(4-2-1-3-5-14)9-7-11(18)16-13(9)20/h6-7H,1-5H2,(H,15,17,19)(H,16,18,20)
InChIKeyHGBNWSMJGHSLRK-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.10
Rot. Bonds2

About 3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione

3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione (PubChem CID 67848100) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione
PubChem CID67848100
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione
SMILESO=C1C=C(C2(C3=CC(=O)NC3=O)CCCCC2)C(=O)N1
InChIInChI=1S/C14H14N2O4/c17-10-6-8(12(19)15-10)14(4-2-1-3-5-14)9-7-11(18)16-13(9)20/h6-7H,1-5H2,(H,15,17,19)(H,16,18,20)
InChIKeyHGBNWSMJGHSLRK-UHFFFAOYSA-N
XLogP0.10
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.10
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-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of 3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione (CID 67848100) is 3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione is O=C1C=C(C2(C3=CC(=O)NC3=O)CCCCC2)C(=O)N1.
What is the InChIKey of 3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione?
The InChIKey is HGBNWSMJGHSLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-10-6-8(12(19)15-10)14(4-2-1-3-5-14)9-7-11(18)16-13(9)20/h6-7H,1-5H2,(H,15,17,19)(H,16,18,20).
What are the key properties of 3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione?
3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione has a molecular weight of 274.28 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 67848100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).