6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one

C11H12FNO — CID 169110692

IUPAC6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one
SMILESC=C/C=C(/F)c1[nH]c(=O)c(C)cc1C
InChIInChI=1S/C11H12FNO/c1-4-5-9(12)10-7(2)6-8(3)11(14)13-10/h4-6H,1H2,2-3H3,(H,13,14)/b9-5+
InChIKeyCIGTVIPPDRCAPS-WEVVVXLNSA-N
MW193.22 g/mol
LogP2.49
Rot. Bonds2

About 6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one

6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one (PubChem CID 169110692) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one
PubChem CID169110692
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one
SMILESC=C/C=C(/F)c1[nH]c(=O)c(C)cc1C
InChIInChI=1S/C11H12FNO/c1-4-5-9(12)10-7(2)6-8(3)11(14)13-10/h4-6H,1H2,2-3H3,(H,13,14)/b9-5+
InChIKeyCIGTVIPPDRCAPS-WEVVVXLNSA-N
XLogP2.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one?
The IUPAC name of 6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one (CID 169110692) is 6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one is C=C/C=C(/F)c1[nH]c(=O)c(C)cc1C.
What is the InChIKey of 6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one?
The InChIKey is CIGTVIPPDRCAPS-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H12FNO/c1-4-5-9(12)10-7(2)6-8(3)11(14)13-10/h4-6H,1H2,2-3H3,(H,13,14)/b9-5+.
What are the key properties of 6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one?
6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one has a molecular weight of 193.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1E)-1-fluorobuta-1,3-dienyl]-3,5-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 169110692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).