4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one

C19H21F3N2O2 — CID 166657161

About 4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one

4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 166657161) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one
• PubChem CID: 166657161
• Molecular Formula: C19H21F3N2O2
• Molecular Weight: 366.38 g/mol
• Exact Mass: 366.16
• IUPAC Name: 4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one
• SMILES: C=C1CCN(Cc2c(C)cc(C)[nH]c2=O)C(=O)/C1=C(/C=C\C)C(F)(F)F
• InChI: InChI=1S/C19H21F3N2O2/c1-5-6-15(19(20,21)22)16-11(2)7-8-24(18(16)26)10-14-12(3)9-13(4)23-17(14)25/h5-6,9H,2,7-8,10H2,1,3-4H3,(H,23,25)/b6-5-,16-15-
• InChIKey: QZWOWBAETVRHEA-NCCHCWSYSA-N
• XLogP: 3.72
• TPSA: 53.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.38
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one?

The IUPAC name of 4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one (CID 166657161) is 4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one.

What is the SMILES notation for 4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one?

The canonical SMILES for 4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one is C=C1CCN(Cc2c(C)cc(C)[nH]c2=O)C(=O)/C1=C(/C=C\C)C(F)(F)F.

What is the InChIKey of 4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one?

The InChIKey is QZWOWBAETVRHEA-NCCHCWSYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-5-6-15(19(20,21)22)16-11(2)7-8-24(18(16)26)10-14-12(3)9-13(4)23-17(14)25/h5-6,9H,2,7-8,10H2,1,3-4H3,(H,23,25)/b6-5-,16-15-.

What are the key properties of 4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one?

4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 366.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dimethyl-3-[[(3Z)-4-methylidene-2-oxo-3-[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]piperidin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 166657161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).