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

methanesulfonic acid 6,7-dihydro-5H-[1]pyrindin-4-ylmethyl ester

HCID 87787802
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)OCc1ccnc2c1CCC2
InChIKey
OWOHQOYZAALTGU-UHFFFAOYSA-N
Molecular formula
C10H13NO3S
Average molar mass
227.28 g/mol

Names & identifiers

Preferred name
methanesulfonic acid 6,7-dihydro-5H-[1]pyrindin-4-ylmethyl ester
IUPAC
6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylmethyl methanesulfonate

Names & synonyms

SCHEMBL5154705OWOHQOYZAALTGU-UHFFFAOYSA-Nmethanesulfonic acid 6,7-dihydro-5H-[1]pyrindin-4-ylmethyl ester

Database identifiers

PubChem CID
87787802

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
64.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
309

Related reactions

1 records
New reaction record
HRID 1767050 reaction equation
HRID 1767050As productuspto-grants-2007_06

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes