(2,5-dioxopyrrolidin-1-yl) hept-6-enoate

C11H15NO4 — CID 118510926

IUPAC(2,5-dioxopyrrolidin-1-yl) hept-6-enoate
SMILESC=CCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H15NO4/c1-2-3-4-5-6-11(15)16-12-9(13)7-8-10(12)14/h2H,1,3-8H2
InChIKeyYBXJURVKQXLJQN-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.34
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) hept-6-enoate

(2,5-dioxopyrrolidin-1-yl) hept-6-enoate (PubChem CID 118510926) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) hept-6-enoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) hept-6-enoate
PubChem CID118510926
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) hept-6-enoate
SMILESC=CCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H15NO4/c1-2-3-4-5-6-11(15)16-12-9(13)7-8-10(12)14/h2H,1,3-8H2
InChIKeyYBXJURVKQXLJQN-UHFFFAOYSA-N
XLogP1.34
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) hept-6-enoate with MolForge

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

Launch Full Analysis

Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-oxohexanoate;1-methoxypyrrolidine-2,5-dione
CID 144956392
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) hept-6-enoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) hept-6-enoate (CID 118510926) is (2,5-dioxopyrrolidin-1-yl) hept-6-enoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) hept-6-enoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) hept-6-enoate is C=CCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) hept-6-enoate?
The InChIKey is YBXJURVKQXLJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-3-4-5-6-11(15)16-12-9(13)7-8-10(12)14/h2H,1,3-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) hept-6-enoate?
(2,5-dioxopyrrolidin-1-yl) hept-6-enoate has a molecular weight of 225.24 g/mol, XLogP of 1.34, 6 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) hept-6-enoate is sourced from PubChem (CID 118510926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).