5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one

C15H17F2NO — CID 91164440

IUPAC5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one
SMILESC=C(CC)C(=CC=CC)n1cc(C(F)F)ccc1=O
InChIInChI=1S/C15H17F2NO/c1-4-6-7-13(11(3)5-2)18-10-12(15(16)17)8-9-14(18)19/h4,6-10,15H,3,5H2,1-2H3
InChIKeyCBTXJNQMZUUIFI-UHFFFAOYSA-N
MW265.30 g/mol
LogP4.17
Rot. Bonds5

About 5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one

5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one (PubChem CID 91164440) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one
PubChem CID91164440
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one
SMILESC=C(CC)C(=CC=CC)n1cc(C(F)F)ccc1=O
InChIInChI=1S/C15H17F2NO/c1-4-6-7-13(11(3)5-2)18-10-12(15(16)17)8-9-14(18)19/h4,6-10,15H,3,5H2,1-2H3
InChIKeyCBTXJNQMZUUIFI-UHFFFAOYSA-N
XLogP4.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide
CID 131751449
N-(cyclopenten-1-yl)-N-ethyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8894038
(2E,4E,6E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6-trien-1-one
CID 14427403
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-
CID 14427404
(2E,4E,8Z)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 14427408
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-(9CI)
CID 72731314
1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 72731316
1-(3,3,3-Trifluoro-1-pentafluoroethyl-2-trifluorometh-ylpropenyl)-1h-pyridin-2-one
CID 12726242
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-[(1-Methyl-2-oxopyridin-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 53530146
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
1,6-Dimethyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 22382014

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one (CID 91164440) is 5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one is C=C(CC)C(=CC=CC)n1cc(C(F)F)ccc1=O.
What is the InChIKey of 5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one?
The InChIKey is CBTXJNQMZUUIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-4-6-7-13(11(3)5-2)18-10-12(15(16)17)8-9-14(18)19/h4,6-10,15H,3,5H2,1-2H3.
What are the key properties of 5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one?
5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one has a molecular weight of 265.30 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one is sourced from PubChem (CID 91164440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).