(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate

C17H20N2O6 — CID 19102527

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCC(CCN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C17H20N2O6/c20-13-5-6-14(21)18(13)10-9-11-1-3-12(4-2-11)17(24)25-19-15(22)7-8-16(19)23/h5-6,11-12H,1-4,7-10H2
InChIKeyFFVQQKGHBADVSI-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.72
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate (PubChem CID 19102527) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate
PubChem CID19102527
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCC(CCN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C17H20N2O6/c20-13-5-6-14(21)18(13)10-9-11-1-3-12(4-2-11)17(24)25-19-15(22)7-8-16(19)23/h5-6,11-12H,1-4,7-10H2
InChIKeyFFVQQKGHBADVSI-UHFFFAOYSA-N
XLogP0.72
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate (CID 19102527) is (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate is O=C(ON1C(=O)CCC1=O)C1CCC(CCN2C(=O)C=CC2=O)CC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate?
The InChIKey is FFVQQKGHBADVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c20-13-5-6-14(21)18(13)10-9-11-1-3-12(4-2-11)17(24)25-19-15(22)7-8-16(19)23/h5-6,11-12H,1-4,7-10H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 19102527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).