Structure database (LMSD)

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MDLMOL SDF CSV TSV MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM ID	LMFA08010026
Common Name	Succinamide
Systematic Name	Butanediamide
Synonyms	Succindiamide; Succinic amide; Succinic acid diamide
Exact Mass	116.0586 (neutral)    Calculate m/z: (Select m/z)[M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- M(neutral)
Formula	C4H8N2O2
Category	Fatty Acyls [FA]
Main Class	Fatty amides [FA08]
Sub Class	Primary amides [FA0801]
PubChem CID	8036
InChIKey	SNCZNSNPXMPCGN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI	InChI=1S/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8) Click to highlight InChI
SMILES	O=C(CCC(N)=O)N Click to highlight SMILES
Status	Active
Calculated physicochemical properties (?):
Heavy Atoms 8 Rings 0 Aromatic Rings 0 Rotatable Bonds 3   van der Waals Molecular Volume 112.06 Topological Polar Surface Area 86.18 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2   logP -1.26 Molar Refractivity 27.62