(E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one

C146H192N16O10 — CID 159076389

About (E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one

(E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one (PubChem CID 159076389) has the molecular formula C146H192N16O10 and a molecular weight of 2331.24 g/mol. Its IUPAC name is (E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one.

Molecular Properties

• Compound Name: (E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one
• PubChem CID: 159076389
• Molecular Formula: C146H192N16O10
• Molecular Weight: 2331.24 g/mol
• Exact Mass: 2329.50
• IUPAC Name: (E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one
• SMILES: C/C(=C\[C@@H](C)C(=O)c1ccccn1)C(C)C.C/C(=C\[C@@H](C)C(=O)c1cccnc1)C(C)C.C/C(=C\[C@@H](C)C(=O)c1ccncc1)C(C)C.C/C(=C\[C@@H](C)C(=O)c1nccc(-c2cccnc2)n1)C(C)C.C/C(=C\[C@@H](C)C(=O)c1ncccn1)C(C)C.C/C(=C\[C@H](C)C(=O)c1ccccn1)C(C)C.C/C(=C\[C@H](C)C(=O)c1cccnc1)C(C)C.C/C(=C\[C@H](C)C(=O)c1ccncc1)C(C)C.C/C(=C\[C@H](C)C(=O)c1nccc(-c2cccnc2)n1)C(C)C.C/C(=C\[C@H](C)C(=O)c1ncccn1)C(C)C
• InChI: InChI=1S/2C18H21N3O.6C14H19NO.2C13H18N2O/c2*1-12(2)13(3)10-14(4)17(22)18-20-9-7-16(21-18)15-6-5-8-19-11-15;2*1-10(2)11(3)9-12(4)14(16)13-5-7-15-8-6-13;2*1-10(2)11(3)8-12(4)14(16)13-6-5-7-15-9-13;2*1-10(2)11(3)9-12(4)14(16)13-7-5-6-8-15-13;2*1-9(2)10(3)8-11(4)12(16)13-14-6-5-7-15-13/h2*5-12,14H,1-4H3;6*5-10,12H,1-4H3;2*5-9,11H,1-4H3/b2*13-10+;2*11-9+;2*11-8+;2*11-9+;2*10-8+/t2*14-;6*12-;2*11-/m1010101010/s1
• InChIKey: KAHNMYAPOXZOBB-TXKVGLBPSA-N
• XLogP: 34.73
• TPSA: 376.94 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2331.24
LogP ≤ 5	34.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one?

The IUPAC name of (E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one (CID 159076389) is (E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one.

What is the SMILES notation for (E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one?

The canonical SMILES for (E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one is C/C(=C\[C@@H](C)C(=O)c1ccccn1)C(C)C.C/C(=C\[C@@H](C)C(=O)c1cccnc1)C(C)C.C/C(=C\[C@@H](C)C(=O)c1ccncc1)C(C)C.C/C(=C\[C@@H](C)C(=O)c1nccc(-c2cccnc2)n1)C(C)C.C/C(=C\[C@@H](C)C(=O)c1ncccn1)C(C)C.C/C(=C\[C@H](C)C(=O)c1ccccn1)C(C)C.C/C(=C\[C@H](C)C(=O)c1cccnc1)C(C)C.C/C(=C\[C@H](C)C(=O)c1ccncc1)C(C)C.C/C(=C\[C@H](C)C(=O)c1nccc(-c2cccnc2)n1)C(C)C.C/C(=C\[C@H](C)C(=O)c1ncccn1)C(C)C.

What is the InChIKey of (E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one?

The InChIKey is KAHNMYAPOXZOBB-TXKVGLBPSA-N. The full InChI is InChI=1S/2C18H21N3O.6C14H19NO.2C13H18N2O/c2*1-12(2)13(3)10-14(4)17(22)18-20-9-7-16(21-18)15-6-5-8-19-11-15;2*1-10(2)11(3)9-12(4)14(16)13-5-7-15-8-6-13;2*1-10(2)11(3)8-12(4)14(16)13-6-5-7-15-9-13;2*1-10(2)11(3)9-12(4)14(16)13-7-5-6-8-15-13;2*1-9(2)10(3)8-11(4)12(16)13-14-6-5-7-15-13/h2*5-12,14H,1-4H3;6*5-10,12H,1-4H3;2*5-9,11H,1-4H3/b2*13-10+;2*11-9+;2*11-8+;2*11-9+;2*10-8+/t2*14-;6*12-;2*11-/m1010101010/s1.

What are the key properties of (E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one?

(E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one has a molecular weight of 2331.24 g/mol, XLogP of 34.73, 42 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (E,2R)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-3-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyridin-4-ylhex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-(4-pyridin-3-ylpyrimidin-2-yl)hex-3-en-1-one;(E,2S)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one;(E,2R)-2,4,5-trimethyl-1-pyrimidin-2-ylhex-3-en-1-one is sourced from PubChem (CID 159076389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).