(2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate

C16H18N2O6 — CID 67940073

IUPAC(2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SMILESO=C1CC(OC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)C(=O)N1
InChIInChI=1S/C16H18N2O6/c19-12-7-11(15(22)17-12)24-16(23)10-3-1-9(2-4-10)8-18-13(20)5-6-14(18)21/h5-6,9-11H,1-4,7-8H2,(H,17,19,22)
InChIKeyMAEUQDCGWNWQQV-UHFFFAOYSA-N
MW334.33 g/mol
LogP-0.32
Rot. Bonds4

About (2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate

(2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate (PubChem CID 67940073) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
PubChem CID67940073
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name(2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SMILESO=C1CC(OC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)C(=O)N1
InChIInChI=1S/C16H18N2O6/c19-12-7-11(15(22)17-12)24-16(23)10-3-1-9(2-4-10)8-18-13(20)5-6-14(18)21/h5-6,9-11H,1-4,7-8H2,(H,17,19,22)
InChIKeyMAEUQDCGWNWQQV-UHFFFAOYSA-N
XLogP-0.32
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 11652864
sulfo 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 54540677
bis[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl] carbonate
CID 57225103
(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;ethane
CID 143724509
4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
CID 4200874
4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid;methane;propan-2-one
CID 143503525
[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl] N-aminocarbamate
CID 134348907
(2,5-dioxopyrrolidin-3-yl) propanoate;propanoyl chloride
CID 88721873
1-[(4-acetylcyclohexyl)methyl]pyrrole-2,5-dione;(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;1-hydroxypyrrolidine-2,5-dione;methane
CID 158681336
[1,4-bis[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxy]-4-oxobutylidene]sulfamic acid
CID 173056124
N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
CID 138492356
CID 158801537
CID 158801537

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate (CID 67940073) is (2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate is O=C1CC(OC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)C(=O)N1.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The InChIKey is MAEUQDCGWNWQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c19-12-7-11(15(22)17-12)24-16(23)10-3-1-9(2-4-10)8-18-13(20)5-6-14(18)21/h5-6,9-11H,1-4,7-8H2,(H,17,19,22).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
(2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate has a molecular weight of 334.33 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 67940073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).