(2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate

C14H19NO5 — CID 174324745

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate
SMILESO=C(CC1(O)CC/C=C\CCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C14H19NO5/c16-11-6-7-12(17)15(11)20-13(18)10-14(19)8-4-2-1-3-5-9-14/h1-2,19H,3-10H2/b2-1-
InChIKeyHKYXURAVXKJCHH-UPHRSURJSA-N
MW281.31 g/mol
LogP1.24
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate (PubChem CID 174324745) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate
PubChem CID174324745
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate
SMILESO=C(CC1(O)CC/C=C\CCC1)ON1C(=O)CCC1=O
InChIInChI=1S/C14H19NO5/c16-11-6-7-12(17)15(11)20-13(18)10-14(19)8-4-2-1-3-5-9-14/h1-2,19H,3-10H2/b2-1-
InChIKeyHKYXURAVXKJCHH-UPHRSURJSA-N
XLogP1.24
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate (CID 174324745) is (2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate is O=C(CC1(O)CC/C=C\CCC1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate?
The InChIKey is HKYXURAVXKJCHH-UPHRSURJSA-N. The full InChI is InChI=1S/C14H19NO5/c16-11-6-7-12(17)15(11)20-13(18)10-14(19)8-4-2-1-3-5-9-14/h1-2,19H,3-10H2/b2-1-.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate has a molecular weight of 281.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[(4Z)-1-hydroxycyclooct-4-en-1-yl]acetate is sourced from PubChem (CID 174324745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).