N-undeca-1,3,5,7,9-pentaynylacetamide

C13H7NO — CID 59520987

IUPACN-undeca-1,3,5,7,9-pentaynylacetamide
SMILESCC#CC#CC#CC#CC#CNC(C)=O
InChIInChI=1S/C13H7NO/c1-3-4-5-6-7-8-9-10-11-12-14-13(2)15/h1-2H3,(H,14,15)
InChIKeyKWWLOPUTZCEORD-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.12
Rot. Bonds

About N-undeca-1,3,5,7,9-pentaynylacetamide

N-undeca-1,3,5,7,9-pentaynylacetamide (PubChem CID 59520987) has the molecular formula C13H7NO and a molecular weight of 193.20 g/mol. Its IUPAC name is N-undeca-1,3,5,7,9-pentaynylacetamide.

Molecular Properties

Compound NameN-undeca-1,3,5,7,9-pentaynylacetamide
PubChem CID59520987
Molecular FormulaC13H7NO
Molecular Weight193.20 g/mol
Exact Mass193.05
IUPAC NameN-undeca-1,3,5,7,9-pentaynylacetamide
SMILESCC#CC#CC#CC#CC#CNC(C)=O
InChIInChI=1S/C13H7NO/c1-3-4-5-6-7-8-9-10-11-12-14-13(2)15/h1-2H3,(H,14,15)
InChIKeyKWWLOPUTZCEORD-UHFFFAOYSA-N
XLogP0.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-undeca-1,3,5,7,9-pentaynylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-undeca-1,3,5,7,9-pentaynylacetamide?
The IUPAC name of N-undeca-1,3,5,7,9-pentaynylacetamide (CID 59520987) is N-undeca-1,3,5,7,9-pentaynylacetamide.
What is the SMILES notation for N-undeca-1,3,5,7,9-pentaynylacetamide?
The canonical SMILES for N-undeca-1,3,5,7,9-pentaynylacetamide is CC#CC#CC#CC#CC#CNC(C)=O.
What is the InChIKey of N-undeca-1,3,5,7,9-pentaynylacetamide?
The InChIKey is KWWLOPUTZCEORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO/c1-3-4-5-6-7-8-9-10-11-12-14-13(2)15/h1-2H3,(H,14,15).
What are the key properties of N-undeca-1,3,5,7,9-pentaynylacetamide?
N-undeca-1,3,5,7,9-pentaynylacetamide has a molecular weight of 193.20 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-undeca-1,3,5,7,9-pentaynylacetamide is sourced from PubChem (CID 59520987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).