cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron

C15H23FeNO4 — CID 133112729

IUPACcyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron
SMILESC1CCCC1.O=C(ON1C(=O)CCC1=O)C1CCCC1.[Fe]
InChIInChI=1S/C10H13NO4.C5H10.Fe/c12-8-5-6-9(13)11(8)15-10(14)7-3-1-2-4-7;1-2-4-5-3-1;/h7H,1-6H2;1-5H2;
InChIKeyIVDPSPXUPRIYJB-UHFFFAOYSA-N
MW337.20 g/mol
LogP2.73
Rot. Bonds2

About cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron

cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron (PubChem CID 133112729) has the molecular formula C15H23FeNO4 and a molecular weight of 337.20 g/mol. Its IUPAC name is cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron.

Molecular Properties

Compound Namecyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron
PubChem CID133112729
Molecular FormulaC15H23FeNO4
Molecular Weight337.20 g/mol
Exact Mass337.10
IUPAC Namecyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron
SMILESC1CCCC1.O=C(ON1C(=O)CCC1=O)C1CCCC1.[Fe]
InChIInChI=1S/C10H13NO4.C5H10.Fe/c12-8-5-6-9(13)11(8)15-10(14)7-3-1-2-4-7;1-2-4-5-3-1;/h7H,1-6H2;1-5H2;
InChIKeyIVDPSPXUPRIYJB-UHFFFAOYSA-N
XLogP2.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron?
The IUPAC name of cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron (CID 133112729) is cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron.
What is the SMILES notation for cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron?
The canonical SMILES for cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron is C1CCCC1.O=C(ON1C(=O)CCC1=O)C1CCCC1.[Fe].
What is the InChIKey of cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron?
The InChIKey is IVDPSPXUPRIYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4.C5H10.Fe/c12-8-5-6-9(13)11(8)15-10(14)7-3-1-2-4-7;1-2-4-5-3-1;/h7H,1-6H2;1-5H2;.
What are the key properties of cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron?
cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron has a molecular weight of 337.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron is sourced from PubChem (CID 133112729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).