3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione

C14H14N2O4 — CID 66722091

IUPAC3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione
SMILESO=C1C=C(C2CCC(C3=CC(=O)NC3=O)CC2)C(=O)N1
InChIInChI=1S/C14H14N2O4/c17-11-5-9(13(19)15-11)7-1-2-8(4-3-7)10-6-12(18)16-14(10)20/h5-8H,1-4H2,(H,15,17,19)(H,16,18,20)
InChIKeyPXSTVONOARCHRH-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.04
Rot. Bonds2

About 3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione

3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione (PubChem CID 66722091) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione
PubChem CID66722091
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione
SMILESO=C1C=C(C2CCC(C3=CC(=O)NC3=O)CC2)C(=O)N1
InChIInChI=1S/C14H14N2O4/c17-11-5-9(13(19)15-11)7-1-2-8(4-3-7)10-6-12(18)16-14(10)20/h5-8H,1-4H2,(H,15,17,19)(H,16,18,20)
InChIKeyPXSTVONOARCHRH-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
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-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of 3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione (CID 66722091) is 3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione is O=C1C=C(C2CCC(C3=CC(=O)NC3=O)CC2)C(=O)N1.
What is the InChIKey of 3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione?
The InChIKey is PXSTVONOARCHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-11-5-9(13(19)15-11)7-1-2-8(4-3-7)10-6-12(18)16-14(10)20/h5-8H,1-4H2,(H,15,17,19)(H,16,18,20).
What are the key properties of 3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione?
3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione has a molecular weight of 274.28 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dioxopyrrol-3-yl)cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 66722091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).