N-nona-2,6-dienylacetamide

C11H19NO — CID 73018180

IUPACN-nona-2,6-dienylacetamide
SMILESCCC=CCCC=CCNC(C)=O
InChIInChI=1S/C11H19NO/c1-3-4-5-6-7-8-9-10-12-11(2)13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,12,13)
InChIKeyZSTOSGAUSBVZCU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.43
Rot. Bonds6

About N-nona-2,6-dienylacetamide

N-nona-2,6-dienylacetamide (PubChem CID 73018180) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-nona-2,6-dienylacetamide.

Molecular Properties

Compound NameN-nona-2,6-dienylacetamide
PubChem CID73018180
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-nona-2,6-dienylacetamide
SMILESCCC=CCCC=CCNC(C)=O
InChIInChI=1S/C11H19NO/c1-3-4-5-6-7-8-9-10-12-11(2)13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,12,13)
InChIKeyZSTOSGAUSBVZCU-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-nona-2,6-dienylacetamide?
The IUPAC name of N-nona-2,6-dienylacetamide (CID 73018180) is N-nona-2,6-dienylacetamide.
What is the SMILES notation for N-nona-2,6-dienylacetamide?
The canonical SMILES for N-nona-2,6-dienylacetamide is CCC=CCCC=CCNC(C)=O.
What is the InChIKey of N-nona-2,6-dienylacetamide?
The InChIKey is ZSTOSGAUSBVZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-5-6-7-8-9-10-12-11(2)13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,12,13).
What are the key properties of N-nona-2,6-dienylacetamide?
N-nona-2,6-dienylacetamide has a molecular weight of 181.28 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-nona-2,6-dienylacetamide is sourced from PubChem (CID 73018180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).