N-cyanododecanamide;zinc

C13H24N2OZn — CID 88641506

IUPACN-cyanododecanamide;zinc
SMILESCCCCCCCCCCCC(=O)NC#N.[Zn]
InChIInChI=1S/C13H24N2O.Zn/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14;/h2-11H2,1H3,(H,15,16);
InChIKeyPQLVSOMEECPYNK-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.50
Rot. Bonds10

About N-cyanododecanamide;zinc

N-cyanododecanamide;zinc (PubChem CID 88641506) has the molecular formula C13H24N2OZn and a molecular weight of 289.74 g/mol. Its IUPAC name is N-cyanododecanamide;zinc.

Molecular Properties

Compound NameN-cyanododecanamide;zinc
PubChem CID88641506
Molecular FormulaC13H24N2OZn
Molecular Weight289.74 g/mol
Exact Mass288.12
IUPAC NameN-cyanododecanamide;zinc
SMILESCCCCCCCCCCCC(=O)NC#N.[Zn]
InChIInChI=1S/C13H24N2O.Zn/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14;/h2-11H2,1H3,(H,15,16);
InChIKeyPQLVSOMEECPYNK-UHFFFAOYSA-N
XLogP3.50
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)decanamide
CID 62399737
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-decanoyldecanamide
CID 87914075
N-methylundecanamide
CID 23297450
N-methylheptacosanamide
CID 18175889
henicosanoyl cyanide
CID 54273514
N-octanoyloctanamide;hydrobromide
CID 175059894
N-hydroxytridecanamide
CID 14122613
N-methylnonadecanamide
CID 2724821
N-(1-cyanopropyl)heptanamide
CID 115605228

Frequently Asked Questions

What is the IUPAC name of N-cyanododecanamide;zinc?
The IUPAC name of N-cyanododecanamide;zinc (CID 88641506) is N-cyanododecanamide;zinc.
What is the SMILES notation for N-cyanododecanamide;zinc?
The canonical SMILES for N-cyanododecanamide;zinc is CCCCCCCCCCCC(=O)NC#N.[Zn].
What is the InChIKey of N-cyanododecanamide;zinc?
The InChIKey is PQLVSOMEECPYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.Zn/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14;/h2-11H2,1H3,(H,15,16);.
What are the key properties of N-cyanododecanamide;zinc?
N-cyanododecanamide;zinc has a molecular weight of 289.74 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyanododecanamide;zinc is sourced from PubChem (CID 88641506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).