Structure Database (LMSD)

Common Name
N-Cyclopropyl-trans-2-cis-6-nonadienamide
Systematic Name
(2E,6Z)-N-cyclopropylnona-2,6-dienamide
Synonyms
LM ID
LMFA08020191
Formula
C12H19NO
Exact Mass
Calculate m/z
193.146664
Sum Composition
NA 12:3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
BTSTZWOTLKSKHV-ODYTWBPASA-N
InChi (Click to copy)
InChI=1S/C12H19NO/c1-2-3-4-5-6-7-8-12(14)13-11-9-10-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,13,14)/b4-3-,8-7+
SMILES (Click to copy)
O=C(NC1CC1)/C=C/CC/C=C\CC

Other Databases

HMDB ID
HMDB0032210
CHEBI ID
173534
PubChem CID
11469606

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 215.67
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.85
Molar Refractivity 59.48

Admin

Created at
-
Updated at
-