(2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate

C14H19NO4 — CID 71466310

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate
SMILESO=C(CC1C/C=C\CCCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C14H19NO4/c16-12-8-9-13(17)15(12)19-14(18)10-11-6-4-2-1-3-5-7-11/h2,4,11H,1,3,5-10H2/b4-2-
InChIKeyLHUZRHNWUUGZLZ-RQOWECAXSA-N
MW265.31 g/mol
LogP2.12
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate (PubChem CID 71466310) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate
PubChem CID71466310
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate
SMILESO=C(CC1C/C=C\CCCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C14H19NO4/c16-12-8-9-13(17)15(12)19-14(18)10-11-6-4-2-1-3-5-7-11/h2,4,11H,1,3,5-10H2/b4-2-
InChIKeyLHUZRHNWUUGZLZ-RQOWECAXSA-N
XLogP2.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate with MolForge

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Related Compounds

N-hydroxysuccinimide erucic acid
CID 6443861
Oleic Acid N-Hydroxysuccinimide
CID 16225752
5-Norbornene-2-acetic acid succinimidyl ester
CID 88900274
2,5-Pyrrolidinedione, 1-[(1-oxo-10-undecenyl)oxy]-
CID 2794467
(2,5-dioxopyrrolidin-1-yl) Octadec-9-enoate
CID 4198537
Oleic acid N-hydroxysuccinimide ester
CID 6034392
Succinimidyl Nervonate
CID 45040426
(2,5-Dioxopyrrolidin-1-yl) tetracos-15-enoate
CID 57359689
2,5-Dioxopyrrolidin-1-yl (9Z,12Z)-octadeca-9,12-dienoate
CID 58361170
(2,5-Dioxopyrrolidin-1-yl) 2-(8-oxocyclooct-4-en-1-yl)acetate
CID 78076938
(1-oxido-2,5-dioxopyrrolidin-1-ium-1-yl) (9Z,12Z)-octadeca-9,12-dienoate
CID 88076191
(2,5-dioxopyrrolidin-1-yl) (4Z)-bicyclo[6.1.0]non-4-ene-9-carboxylate
CID 89147446

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate (CID 71466310) is (2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate is O=C(CC1C/C=C\CCCC1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate?
The InChIKey is LHUZRHNWUUGZLZ-RQOWECAXSA-N. The full InChI is InChI=1S/C14H19NO4/c16-12-8-9-13(17)15(12)19-14(18)10-11-6-4-2-1-3-5-7-11/h2,4,11H,1,3,5-10H2/b4-2-.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate has a molecular weight of 265.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate is sourced from PubChem (CID 71466310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).