N-tridec-1-en-3,5,7,9,11-pentaynylacetamide

C15H9NO — CID 59094477

IUPACN-tridec-1-en-3,5,7,9,11-pentaynylacetamide
SMILESCC#CC#CC#CC#CC#CC=CNC(C)=O
InChIInChI=1S/C15H9NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-15(2)17/h13-14H,1-2H3,(H,16,17)
InChIKeyIPEIIOBVHVKBJZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.67
Rot. Bonds1

About N-tridec-1-en-3,5,7,9,11-pentaynylacetamide

N-tridec-1-en-3,5,7,9,11-pentaynylacetamide (PubChem CID 59094477) has the molecular formula C15H9NO and a molecular weight of 219.24 g/mol. Its IUPAC name is N-tridec-1-en-3,5,7,9,11-pentaynylacetamide.

Molecular Properties

Compound NameN-tridec-1-en-3,5,7,9,11-pentaynylacetamide
PubChem CID59094477
Molecular FormulaC15H9NO
Molecular Weight219.24 g/mol
Exact Mass219.07
IUPAC NameN-tridec-1-en-3,5,7,9,11-pentaynylacetamide
SMILESCC#CC#CC#CC#CC#CC=CNC(C)=O
InChIInChI=1S/C15H9NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-15(2)17/h13-14H,1-2H3,(H,16,17)
InChIKeyIPEIIOBVHVKBJZ-UHFFFAOYSA-N
XLogP0.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tridec-1-en-3,5,7,9,11-pentaynylacetamide?
The IUPAC name of N-tridec-1-en-3,5,7,9,11-pentaynylacetamide (CID 59094477) is N-tridec-1-en-3,5,7,9,11-pentaynylacetamide.
What is the SMILES notation for N-tridec-1-en-3,5,7,9,11-pentaynylacetamide?
The canonical SMILES for N-tridec-1-en-3,5,7,9,11-pentaynylacetamide is CC#CC#CC#CC#CC#CC=CNC(C)=O.
What is the InChIKey of N-tridec-1-en-3,5,7,9,11-pentaynylacetamide?
The InChIKey is IPEIIOBVHVKBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-15(2)17/h13-14H,1-2H3,(H,16,17).
What are the key properties of N-tridec-1-en-3,5,7,9,11-pentaynylacetamide?
N-tridec-1-en-3,5,7,9,11-pentaynylacetamide has a molecular weight of 219.24 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tridec-1-en-3,5,7,9,11-pentaynylacetamide is sourced from PubChem (CID 59094477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).