nona-2,4,6,8-tetraenamide

C9H11NO — CID 54115243

IUPACnona-2,4,6,8-tetraenamide
SMILESC=CC=CC=CC=CC(N)=O
InChIInChI=1S/C9H11NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H,1H2,(H2,10,11)
InChIKeyNJWULEDCJDVHHH-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.33
Rot. Bonds4

About nona-2,4,6,8-tetraenamide

nona-2,4,6,8-tetraenamide (PubChem CID 54115243) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is nona-2,4,6,8-tetraenamide.

Molecular Properties

Compound Namenona-2,4,6,8-tetraenamide
PubChem CID54115243
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Namenona-2,4,6,8-tetraenamide
SMILESC=CC=CC=CC=CC(N)=O
InChIInChI=1S/C9H11NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H,1H2,(H2,10,11)
InChIKeyNJWULEDCJDVHHH-UHFFFAOYSA-N
XLogP1.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nona-2,4,6,8-tetraenamide?
The IUPAC name of nona-2,4,6,8-tetraenamide (CID 54115243) is nona-2,4,6,8-tetraenamide.
What is the SMILES notation for nona-2,4,6,8-tetraenamide?
The canonical SMILES for nona-2,4,6,8-tetraenamide is C=CC=CC=CC=CC(N)=O.
What is the InChIKey of nona-2,4,6,8-tetraenamide?
The InChIKey is NJWULEDCJDVHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H,1H2,(H2,10,11).
What are the key properties of nona-2,4,6,8-tetraenamide?
nona-2,4,6,8-tetraenamide has a molecular weight of 149.19 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 54115243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).