N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide

C9H12FNO — CID 144756165

IUPACN-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide
SMILESC=C(C)/C=C(/F)C(=C)NC(C)=O
InChIInChI=1S/C9H12FNO/c1-6(2)5-9(10)7(3)11-8(4)12/h5H,1,3H2,2,4H3,(H,11,12)/b9-5+
InChIKeyOSNNCSUMYKDAMR-WEVVVXLNSA-N
MW169.20 g/mol
LogP2.07
Rot. Bonds3

About N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide

N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide (PubChem CID 144756165) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide
PubChem CID144756165
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide
SMILESC=C(C)/C=C(/F)C(=C)NC(C)=O
InChIInChI=1S/C9H12FNO/c1-6(2)5-9(10)7(3)11-8(4)12/h5H,1,3H2,2,4H3,(H,11,12)/b9-5+
InChIKeyOSNNCSUMYKDAMR-WEVVVXLNSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.07
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

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4-Methyl-5-(2-methylpropylidene)pyrrol-2-one
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3,5,7-Trimethyl-1,3-dihydro-2H-azepin-2-one
CID 282174
N-(1-cyclopenta-2,4-dien-1-ylideneethyl)acetamide
CID 53660602
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
CID 54172936
6-(2-Fluoropropan-2-yl)pyridin-2-ol
CID 59928343
(6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one
CID 89207139

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide?
The IUPAC name of N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide (CID 144756165) is N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide.
What is the SMILES notation for N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide?
The canonical SMILES for N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide is C=C(C)/C=C(/F)C(=C)NC(C)=O.
What is the InChIKey of N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide?
The InChIKey is OSNNCSUMYKDAMR-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6(2)5-9(10)7(3)11-8(4)12/h5H,1,3H2,2,4H3,(H,11,12)/b9-5+.
What are the key properties of N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide?
N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide has a molecular weight of 169.20 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide is sourced from PubChem (CID 144756165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).