N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide

C13H20FNO — CID 143587729

IUPACN-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide
SMILESC=C(/C=C\C(F)=C(/C)NC(C)=O)CC(C)C
InChIInChI=1S/C13H20FNO/c1-9(2)8-10(3)6-7-13(14)11(4)15-12(5)16/h6-7,9H,3,8H2,1-2,4-5H3,(H,15,16)/b7-6-,13-11-
InChIKeyHORYPUGSARLCMS-FICPNTFISA-N
MW225.31 g/mol
LogP3.48
Rot. Bonds5

About N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide

N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide (PubChem CID 143587729) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide
PubChem CID143587729
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide
SMILESC=C(/C=C\C(F)=C(/C)NC(C)=O)CC(C)C
InChIInChI=1S/C13H20FNO/c1-9(2)8-10(3)6-7-13(14)11(4)15-12(5)16/h6-7,9H,3,8H2,1-2,4-5H3,(H,15,16)/b7-6-,13-11-
InChIKeyHORYPUGSARLCMS-FICPNTFISA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.48
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

N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
CID 54172936
N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide
CID 123819181
N-[(2E,4Z)-6-fluoro-5-methylhepta-2,4-dien-2-yl]acetamide
CID 156217807
N-[(3Z,5Z)-3-fluoro-5-propan-2-ylhepta-1,3,5-trien-4-yl]prop-2-enamide
CID 178056915
5-fluoro-6-(3-methylpentan-2-ylidene)-3H-pyridin-2-one
CID 91581678
N-[(3Z,5Z)-7-fluoro-5-methylhepta-1,3,5-trien-2-yl]acetamide
CID 141973755
N-[(2E)-6-fluoroocta-2,4,7-trien-2-yl]-2-methylpropanamide
CID 142986720
N-[(3Z,5E)-3-fluoro-6-methylocta-1,3,5-trien-4-yl]acetamide
CID 143502173
N-[(3Z)-3-[(6Z)-6-ethylidene-3-fluorocyclohexa-2,4-dien-1-ylidene]prop-1-en-2-yl]acetamide
CID 143763676
N-[(7E,9E,11Z)-9-fluoro-2,11-dimethylpentadeca-2,7,9,11-tetraen-8-yl]acetamide
CID 177040586
4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one
CID 21334152
4-methyl-5,6-di(propan-2-yl)-1H-pyridin-2-one
CID 58327598

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide?
The IUPAC name of N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide (CID 143587729) is N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide.
What is the SMILES notation for N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide?
The canonical SMILES for N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide is C=C(/C=C\C(F)=C(/C)NC(C)=O)CC(C)C.
What is the InChIKey of N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide?
The InChIKey is HORYPUGSARLCMS-FICPNTFISA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)8-10(3)6-7-13(14)11(4)15-12(5)16/h6-7,9H,3,8H2,1-2,4-5H3,(H,15,16)/b7-6-,13-11-.
What are the key properties of N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide?
N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide has a molecular weight of 225.31 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-3-fluoro-8-methyl-6-methylidenenona-2,4-dien-2-yl]acetamide is sourced from PubChem (CID 143587729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).