nona-2,4,6-triynamide

C9H7NO — CID 46878538

IUPACnona-2,4,6-triynamide
SMILESCCC#CC#CC#CC(N)=O
InChIInChI=1S/C9H7NO/c1-2-3-4-5-6-7-8-9(10)11/h2H2,1H3,(H2,10,11)
InChIKeyICLHBUBHBUZPFH-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.11
Rot. Bonds

About nona-2,4,6-triynamide

nona-2,4,6-triynamide (PubChem CID 46878538) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is nona-2,4,6-triynamide.

Molecular Properties

Compound Namenona-2,4,6-triynamide
PubChem CID46878538
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Namenona-2,4,6-triynamide
SMILESCCC#CC#CC#CC(N)=O
InChIInChI=1S/C9H7NO/c1-2-3-4-5-6-7-8-9(10)11/h2H2,1H3,(H2,10,11)
InChIKeyICLHBUBHBUZPFH-UHFFFAOYSA-N
XLogP-0.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102-henpentacontayne
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Frequently Asked Questions

What is the IUPAC name of nona-2,4,6-triynamide?
The IUPAC name of nona-2,4,6-triynamide (CID 46878538) is nona-2,4,6-triynamide.
What is the SMILES notation for nona-2,4,6-triynamide?
The canonical SMILES for nona-2,4,6-triynamide is CCC#CC#CC#CC(N)=O.
What is the InChIKey of nona-2,4,6-triynamide?
The InChIKey is ICLHBUBHBUZPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c1-2-3-4-5-6-7-8-9(10)11/h2H2,1H3,(H2,10,11).
What are the key properties of nona-2,4,6-triynamide?
nona-2,4,6-triynamide has a molecular weight of 145.16 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,4,6-triynamide is sourced from PubChem (CID 46878538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).