N-nona-1,3,5,7-tetraynylacetamide

C11H7NO — CID 59520821

IUPACN-nona-1,3,5,7-tetraynylacetamide
SMILESCC#CC#CC#CC#CNC(C)=O
InChIInChI=1S/C11H7NO/c1-3-4-5-6-7-8-9-10-12-11(2)13/h1-2H3,(H,12,13)
InChIKeyNNGXLOXJVDHVFM-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.11
Rot. Bonds

About N-nona-1,3,5,7-tetraynylacetamide

N-nona-1,3,5,7-tetraynylacetamide (PubChem CID 59520821) has the molecular formula C11H7NO and a molecular weight of 169.18 g/mol. Its IUPAC name is N-nona-1,3,5,7-tetraynylacetamide.

Molecular Properties

Compound NameN-nona-1,3,5,7-tetraynylacetamide
PubChem CID59520821
Molecular FormulaC11H7NO
Molecular Weight169.18 g/mol
Exact Mass169.05
IUPAC NameN-nona-1,3,5,7-tetraynylacetamide
SMILESCC#CC#CC#CC#CNC(C)=O
InChIInChI=1S/C11H7NO/c1-3-4-5-6-7-8-9-10-12-11(2)13/h1-2H3,(H,12,13)
InChIKeyNNGXLOXJVDHVFM-UHFFFAOYSA-N
XLogP0.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.11
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'}

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Frequently Asked Questions

What is the IUPAC name of N-nona-1,3,5,7-tetraynylacetamide?
The IUPAC name of N-nona-1,3,5,7-tetraynylacetamide (CID 59520821) is N-nona-1,3,5,7-tetraynylacetamide.
What is the SMILES notation for N-nona-1,3,5,7-tetraynylacetamide?
The canonical SMILES for N-nona-1,3,5,7-tetraynylacetamide is CC#CC#CC#CC#CNC(C)=O.
What is the InChIKey of N-nona-1,3,5,7-tetraynylacetamide?
The InChIKey is NNGXLOXJVDHVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO/c1-3-4-5-6-7-8-9-10-12-11(2)13/h1-2H3,(H,12,13).
What are the key properties of N-nona-1,3,5,7-tetraynylacetamide?
N-nona-1,3,5,7-tetraynylacetamide has a molecular weight of 169.18 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 N-nona-1,3,5,7-tetraynylacetamide is sourced from PubChem (CID 59520821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).