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

ethyl 1--N-dodecyl-2-pyrrolidone-5-carboxylate

HCID 19002573
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCN1C(=O)CCC1C(=O)OCC
InChIKey
SITGEDUCHSPQDQ-UHFFFAOYSA-N
Molecular formula
C19H35NO3
Average molar mass
325.5 g/mol

Names & identifiers

Preferred name
ethyl 1--N-dodecyl-2-pyrrolidone-5-carboxylate
IUPAC
ethyl 1-dodecyl-5-oxopyrrolidine-2-carboxylate

Names & synonyms

SCHEMBL9150751SITGEDUCHSPQDQ-UHFFFAOYSA-Nethyl 1--N-dodecyl-2-pyrrolidone-5-carboxylate

Database identifiers

PubChem CID
19002573

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
14
Heavy atoms
23
Formal charge
0
Complexity
344

Related reactions

1 records
New reaction record
HRID 2259174 reaction equation
HRID 2259174As productuspto-grants-1995_12

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes