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106983-26-0 molecular structure
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N-(2-oxooxolan-3-yl)heptanamide

ChemBase ID: 155994
Molecular Formular: C11H19NO3
Molecular Mass: 213.27346
Monoisotopic Mass: 213.13649347
SMILES and InChIs

SMILES:
CCCCCCC(=O)NC1CCOC1=O
Canonical SMILES:
CCCCCCC(=O)NC1CCOC1=O
InChI:
InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)
InChIKey:
FTMZLSDESAOPSZ-UHFFFAOYSA-N

Cite this record

CBID:155994 http://www.chembase.cn/molecule-155994.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-oxooxolan-3-yl)heptanamide
IUPAC Traditional name
N-(2-oxooxolan-3-yl)heptanamide
Synonyms
N-Heptanoyl-DL-homoserine lactone
CAS Number
106983-26-0
MDL Number
MFCD01862914
PubChem SID
162250132
24846912
PubChem CID
5057188

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
10939 external link Add to cart Please log in.
Data Source Data ID
PubChem 5057188 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.644621  H Acceptors
H Donor LogD (pH = 5.5) 1.3964663 
LogD (pH = 7.4) 1.3964645  Log P 1.3964667 
Molar Refractivity 55.8889 cm3 Polarizability 22.264418 Å3
Polar Surface Area 55.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C11H19NO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 10939 external link
Application
Application test: Induces violacein expression in a Chromobacterium violaceum mutant usually not able to produce homoserine lactones.1
Biochem/physiol Actions
N-Heptanoyl-DL-homoserine lactone (C7HSL) is among a group of homoserine lactones that includes; N-octanoyl-homoserine lactone (N-C8-HSL), N-Decanoyl-DL-homoserine lactone (N-C10-HSL), N-(3-oxodecanoyl) homoserine-L-lactone (3-oxo-C10 HSL), N-(3-oxododecanoyl)homoserine-L-lactone (3-oxo-C12-HSL), N-(3-Oxotetradecanoyl)-L-homoserine lactone (3-oxo-C14-HSL, N-(3-hydroxydecanoyl)-L-homoserine lactone, and N-(3-hydroxyoctanoyl)-L-homoserine lactone involved in the processes of bacterial quorum sensing. These N-acyl-homoserine lactones are used to study the processes and mechanisms of bacterial quorum sensing.
N-Heptanoyl-DL-homoserine lactone is a member of N-acyl-homoserine lactone family. N-acylhomoserine lactones (AHL) regulate gene expression in gram-negative bacteria, such asEcherichia and Salmonella are involved in quorum sensing, cell to cell communication among bacteria. Some AHLs are potent chemoattractants for human immune cells such as neutrophils.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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