N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide

C13H23NO — CID 91527113

IUPACN-(5,6-dimethylnona-2,4-dien-4-yl)acetamide
SMILESCC=CC(NC(C)=O)=C(C)C(C)CCC
InChIInChI=1S/C13H23NO/c1-6-8-10(3)11(4)13(9-7-2)14-12(5)15/h7,9-10H,6,8H2,1-5H3,(H,14,15)
InChIKeyCRIMXZOSDWCGEE-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.41
Rot. Bonds5

About N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide

N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide (PubChem CID 91527113) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide.

Molecular Properties

Compound NameN-(5,6-dimethylnona-2,4-dien-4-yl)acetamide
PubChem CID91527113
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(5,6-dimethylnona-2,4-dien-4-yl)acetamide
SMILESCC=CC(NC(C)=O)=C(C)C(C)CCC
InChIInChI=1S/C13H23NO/c1-6-8-10(3)11(4)13(9-7-2)14-12(5)15/h7,9-10H,6,8H2,1-5H3,(H,14,15)
InChIKeyCRIMXZOSDWCGEE-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-tert-butyl-4-cyclobutylpenta-2,4-dienamide
CID 102084154
N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide
CID 143587729
4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one
CID 21334152
N-(4-ethylcyclohexa-1,5-dien-1-yl)acetamide
CID 22064862
N-[1-(2-ethyl-5-propylcyclopenta-1,3-dien-1-yl)-2-methylprop-1-enyl]propanamide
CID 54266266
4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one
CID 58327598
N-(2,5-dimethylcyclohexa-1,5-dien-1-yl)acetamide
CID 68219657
N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide
CID 68962370
5-[(Z)-2-(2,4-dimethylcyclobutyl)ethenyl]-3,6-dimethyl-1H-pyridin-2-one
CID 70833117
N-(2-methyl-6-propylcyclohepta-1,4,6-trien-1-yl)acetamide
CID 70924617
N-[(1Z,3E)-1-(2-methylcyclobutyl)penta-1,3-dien-3-yl]acetamide
CID 88991014
N-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]acetamide
CID 89017610

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide?
The IUPAC name of N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide (CID 91527113) is N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide.
What is the SMILES notation for N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide?
The canonical SMILES for N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide is CC=CC(NC(C)=O)=C(C)C(C)CCC.
What is the InChIKey of N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide?
The InChIKey is CRIMXZOSDWCGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-8-10(3)11(4)13(9-7-2)14-12(5)15/h7,9-10H,6,8H2,1-5H3,(H,14,15).
What are the key properties of N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide?
N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide has a molecular weight of 209.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethylnona-2,4-dien-4-yl)acetamide is sourced from PubChem (CID 91527113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).