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

C15H16N2O6 — CID 59459672

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C15H16N2O6/c18-11-5-6-12(19)16(11)10-3-1-9(2-4-10)15(22)23-17-13(20)7-8-14(17)21/h5-6,9-10H,1-4,7-8H2
InChIKeyWMZINMSAQGUCIL-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.08
Rot. Bonds3

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

(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate (PubChem CID 59459672) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate
PubChem CID59459672
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)C1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C15H16N2O6/c18-11-5-6-12(19)16(11)10-3-1-9(2-4-10)15(22)23-17-13(20)7-8-14(17)21/h5-6,9-10H,1-4,7-8H2
InChIKeyWMZINMSAQGUCIL-UHFFFAOYSA-N
XLogP0.08
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Succinimidyl 4-(N-maleimidomethyl)cyclohexanecarboxylate
CID 125175
Pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 58185086
4-(1-Methyl-2,5-dioxopyrrol-1-ium-1-yl)cyclohexane-1-carboxylic acid
CID 18512668
(2,5-Dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate
CID 19102527
4-(2,5-Dioxopyrrol-1-yl)cyclohexane-1-carboxylic acid
CID 19870282
(2,5-Dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 20086896
(2,5-Dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboperoxoate
CID 20089730
(2,5-Dioxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)heptanoate
CID 22159166
(1-Hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 4-(1-methyl-2,5-dioxopyrrol-1-ium-1-yl)cyclohexane-1-carboxylate
CID 22395215
1-[4-[(2,5-Dioxopyrrolidin-1-yl)oxymethyl]cyclohexyl]pyrrole-2,5-dione
CID 58036909
Sodium (2,5-dioxopyrrolidin-4-id-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 58165834
(3-Methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate
CID 59082720

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate (CID 59459672) is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate is O=C(ON1C(=O)CCC1=O)C1CCC(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate?
The InChIKey is WMZINMSAQGUCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c18-11-5-6-12(19)16(11)10-3-1-9(2-4-10)15(22)23-17-13(20)7-8-14(17)21/h5-6,9-10H,1-4,7-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate has a molecular weight of 320.30 g/mol, XLogP of 0.08, 3 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-(2,5-dioxopyrrol-1-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 59459672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).