HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2-(3-Butyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid

HCID 69313467
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCC(C(=O)O)N1CCC(CCCC)C1=O
InChIKey
ALXROWAGTRSILZ-UHFFFAOYSA-N
Molecular formula
C13H21NO3
Average molar mass
239.31 g/mol
Monoisotopic mass
239.15214353

Names & identifiers

Preferred name
2-(3-Butyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid
IUPAC
2-(3-butyl-2-oxopyrrolidin-1-yl)pent-4-enoic acid

Names & synonyms

SCHEMBL5106158

Database identifiers

PubChem CID
69313467

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
57.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
17
Formal charge
0
Complexity
301

Related reactions

2 records
New reaction record
HRID 296896 reaction equation
HRID 296896As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 673544 reaction equation
HRID 673544As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes