[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane

C23H32N2O8 — CID 143845139

IUPAC[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane
SMILESC.O=C(CCCCCOC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)ON1C(=O)CCC1=O
InChIInChI=1S/C22H28N2O8.CH4/c25-17-9-10-18(26)23(17)14-15-5-7-16(8-6-15)22(30)31-13-3-1-2-4-21(29)32-24-19(27)11-12-20(24)28;/h9-10,15-16H,1-8,11-14H2;1H4
InChIKeyLHRSKEINDAQBCI-UHFFFAOYSA-N
MW464.52 g/mol
LogP2.06
Rot. Bonds10

About [6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane

[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane (PubChem CID 143845139) has the molecular formula C23H32N2O8 and a molecular weight of 464.52 g/mol. Its IUPAC name is [6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane.

Molecular Properties

Compound Name[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane
PubChem CID143845139
Molecular FormulaC23H32N2O8
Molecular Weight464.52 g/mol
Exact Mass464.22
IUPAC Name[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane
SMILESC.O=C(CCCCCOC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)ON1C(=O)CCC1=O
InChIInChI=1S/C22H28N2O8.CH4/c25-17-9-10-18(26)23(17)14-15-5-7-16(8-6-15)22(30)31-13-3-1-2-4-21(29)32-24-19(27)11-12-20(24)28;/h9-10,15-16H,1-8,11-14H2;1H4
InChIKeyLHRSKEINDAQBCI-UHFFFAOYSA-N
XLogP2.06
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;ethane
CID 143724509
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
(2,5-dioxopyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 11652864
6-aminohexanoic acid;(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid
CID 157399231
[6-(2,5-dihydroxypyrrol-1-yl)oxy-6-oxohexyl] 4-[(2,5-dihydroxypyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 123753393
[6-(2,5-dihydroxypyrrol-1-yl)oxy-6-oxohexyl] 4-[(2-oxo-3H-pyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 123844956
1-O-[2-(2,5-dioxocyclopentyl)ethyl] 8-O-(2,5-dioxopyrrolidin-1-yl) octanedioate
CID 145391032
(2,5-dioxopyrrolidin-1-yl) 3-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2-methylbutanoate
CID 130251799
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-(2-prop-2-ynoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 163557067
(2,5-dioxopyrrolidin-1-yl) 5-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]pentanoate
CID 20779685

Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane?
The IUPAC name of [6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane (CID 143845139) is [6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane.
What is the SMILES notation for [6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane?
The canonical SMILES for [6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane is C.O=C(CCCCCOC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1)ON1C(=O)CCC1=O.
What is the InChIKey of [6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane?
The InChIKey is LHRSKEINDAQBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O8.CH4/c25-17-9-10-18(26)23(17)14-15-5-7-16(8-6-15)22(30)31-13-3-1-2-4-21(29)32-24-19(27)11-12-20(24)28;/h9-10,15-16H,1-8,11-14H2;1H4.
What are the key properties of [6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane?
[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane has a molecular weight of 464.52 g/mol, XLogP of 2.06, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate;methane is sourced from PubChem (CID 143845139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).