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

C15H8NO- — CID 59094476

IUPACN-tridec-1-en-3,5,7,9,11-pentaynylacetamide
SMILESCC#CC#CC#CC#CC#C/[C-]=C/NC(C)=O
InChIInChI=1S/C15H8NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-15(2)17/h14H,1-2H3,(H,16,17)/q-1
InChIKeyYRBGADQJIKJOKI-UHFFFAOYSA-N
MW218.23 g/mol
LogP0.48
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 59094476) has the molecular formula C15H8NO- and a molecular weight of 218.23 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 CID59094476
Molecular FormulaC15H8NO-
Molecular Weight218.23 g/mol
Exact Mass218.06
IUPAC NameN-tridec-1-en-3,5,7,9,11-pentaynylacetamide
SMILESCC#CC#CC#CC#CC#C/[C-]=C/NC(C)=O
InChIInChI=1S/C15H8NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-15(2)17/h14H,1-2H3,(H,16,17)/q-1
InChIKeyYRBGADQJIKJOKI-UHFFFAOYSA-N
XLogP0.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-(2-methyl-1-propenyl)-
CID 5325884
N-(3-methylbuta-1,2-dienyl)propanamide
CID 134898093
N-[(Z)-but-1-en-3-ynyl]acetamide
CID 15836329
N-[(E)-but-1-en-3-ynyl]acetamide
CID 15836330
N-dodeca-1,2,3,4,5,6,7,8,9,10-decaenylacetamide
CID 20700877
N-buta-1,2-dienylacetamide
CID 124014207
N-[(Z)-hex-1-en-3-ynyl]acetamide
CID 129264041
N-(2-methylprop-1-enyl)but-2-ynamide
CID 144677499
N-(3-aminopropa-1,2-dienyl)acetamide
CID 176537565
N-dodeca-1,2,3,4,5,6,7,8,9,10-decaenylacetamide
CID 20700878
N-(3-oxopropa-1,2-dienyl)acetamide
CID 21859416
N-tridec-1-en-3,5,7,9,11-pentaynylacetamide
CID 59094477

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 59094476) 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#C/[C-]=C/NC(C)=O.
What is the InChIKey of N-tridec-1-en-3,5,7,9,11-pentaynylacetamide?
The InChIKey is YRBGADQJIKJOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-15(2)17/h14H,1-2H3,(H,16,17)/q-1.
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 218.23 g/mol, XLogP of 0.48, 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 59094476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).