cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate

C12H17NO5 — CID 87384668

IUPACcyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(OCC1CCCCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C12H17NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyRKJSJWKVGFKILE-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.78
Rot. Bonds3

About cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate

cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 87384668) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Namecyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
PubChem CID87384668
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Namecyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(OCC1CCCCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C12H17NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyRKJSJWKVGFKILE-UHFFFAOYSA-N
XLogP1.78
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4Z,8S)-9-bicyclo[6.1.0]non-4-enyl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 129049237
cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron
CID 133112729
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyldisulfanyl]methyl carbonate
CID 90051305
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(4-cyclopropylphenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 23577252
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) [2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl] carbonate
CID 159138690
(2,5-dioxopyrrolidin-1-yl) 3-[2-(3-cyclodecylpropoxy)ethoxy]propanoate
CID 138457388
(2,5-dioxopyrrolidin-1-yl) (2-hydroxy-5-oxopyrrolidin-1-yl) carbonate
CID 88868762
[3,5-bis[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy]-4-hydroxyoxan-2-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 137436145
(2,5-dioxopyrrolidin-1-yl) 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 171843630
[(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
CID 155426799

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The IUPAC name of cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate (CID 87384668) is cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The canonical SMILES for cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate is O=C(OCC1CCCCC1)ON1C(=O)CCC1=O.
What is the InChIKey of cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate?
The InChIKey is RKJSJWKVGFKILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h9H,1-8H2.
What are the key properties of cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate?
cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 255.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 87384668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).