Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
2-[(Dimethylamino)methyl]-5-pentylidenecyclopentan-1-one (HCID 362668)|Huagongshe
Home
/
Compound
2-[(Dimethylamino)methyl]-5-pentylidenecyclopentan-1-one
HCID
362668
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CCCCC=C1CCC(CN(C)C)C1=O
InChIKey
DGFOGZAJBWCFAR-UHFFFAOYSA-N
Molecular formula
C13H23NO
Average molar mass
209.33 g/mol
Names & identifiers
Preferred name
2-[(Dimethylamino)methyl]-5-pentylidenecyclopentan-1-one
IUPAC
2-[(dimethylamino)methyl]-5-pentylidenecyclopentan-1-one
Names & synonyms
NCI60_008501
SCHEMBL9482712
Database identifiers
PubChem CID
362668
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
243
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
662228
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
Loading…