[(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate

C13H17NO5 — CID 155426799

IUPAC[(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(O[C@@H]1/C=C\CCCCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C13H17NO5/c15-11-8-9-12(16)14(11)19-13(17)18-10-6-4-2-1-3-5-7-10/h4,6,10H,1-3,5,7-9H2/b6-4-/t10-/m1/s1
InChIKeyIXECMLNTLPRCJD-AYYIZTPMSA-N
MW267.28 g/mol
LogP2.09
Rot. Bonds2

About [(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate

[(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 155426799) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is [(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Name[(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
PubChem CID155426799
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name[(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESO=C(O[C@@H]1/C=C\CCCCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C13H17NO5/c15-11-8-9-12(16)14(11)19-13(17)18-10-6-4-2-1-3-5-7-10/h4,6,10H,1-3,5,7-9H2/b6-4-/t10-/m1/s1
InChIKeyIXECMLNTLPRCJD-AYYIZTPMSA-N
XLogP2.09
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate;(2,5-dioxopyrrolidin-1-yl) acetate;ethane
CID 163961436
[(2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate;[(2E)-cyclooct-2-en-1-yl] (4-nitrophenyl) carbonate;(2,5-dioxopyrrolidin-1-yl) (1R,4E)-6-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxy-1-methylcyclooct-4-ene-1-carboxylate;(4-nitrophenyl) (1R,4E)-1-methyl-6-(4-nitrophenoxy)carbonyloxycyclooct-4-ene-1-carboxylate
CID 167559076
[(2Z)-cyclonon-2-en-1-yl] ethyl carbonate
CID 10856794
cyclohept-2-en-1-yl ethyl carbonate
CID 15310932
[(2E)-cyclooct-2-en-1-yl] (4-nitrophenyl) carbonate;ethyl 2-[4-[(2E)-cyclooct-2-en-1-yl]oxycarbonyloxyphenyl]-2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyacetate;ethyl 2-[4-[(2E)-cyclooct-2-en-1-yl]oxycarbonyloxyphenyl]-2-hydroxyacetate
CID 159672943
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
(2,5-dioxopyrrolidin-1-yl) 4-[[(2Z)-cyclooct-2-en-1-yl]methyl]benzoate
CID 138751842
(1Z)-3-hydroperoxycyclodecene
CID 10397221
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate
CID 141355381
cyclohexylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 87384668
2-O-[(2Z)-cyclooct-2-en-1-yl] 1-O-methyl benzene-1,2-dicarboxylate
CID 101173390

Frequently Asked Questions

What is the IUPAC name of [(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate?
The IUPAC name of [(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate (CID 155426799) is [(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for [(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate?
The canonical SMILES for [(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate is O=C(O[C@@H]1/C=C\CCCCC1)ON1C(=O)CCC1=O.
What is the InChIKey of [(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate?
The InChIKey is IXECMLNTLPRCJD-AYYIZTPMSA-N. The full InChI is InChI=1S/C13H17NO5/c15-11-8-9-12(16)14(11)19-13(17)18-10-6-4-2-1-3-5-7-10/h4,6,10H,1-3,5,7-9H2/b6-4-/t10-/m1/s1.
What are the key properties of [(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate?
[(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 267.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2E)-cyclooct-2-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 155426799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).