(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one

C18H18Cl2N2O2 — CID 58436822

IUPAC(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one
SMILESCO/N=C(\CC(C)C(=O)Cc1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-12(18(23)9-13-4-3-7-21-11-13)8-17(22-24-2)14-5-6-15(19)16(20)10-14/h3-7,10-12H,8-9H2,1-2H3/b22-17+
InChIKeyVAGVTDQVLNRDAD-OQKWZONESA-N
MW365.26 g/mol
LogP4.58
Rot. Bonds7

About (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one

(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one (PubChem CID 58436822) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one.

Molecular Properties

Compound Name(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one
PubChem CID58436822
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one
SMILESCO/N=C(\CC(C)C(=O)Cc1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-12(18(23)9-13-4-3-7-21-11-13)8-17(22-24-2)14-5-6-15(19)16(20)10-14/h3-7,10-12H,8-9H2,1-2H3/b22-17+
InChIKeyVAGVTDQVLNRDAD-OQKWZONESA-N
XLogP4.58
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide
CID 58436871
1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
CID 79698529
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one
CID 58436870
5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 76785955
4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one
CID 116565297
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
CID 45101354
N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 4836955
1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105113721
3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one
CID 116573963

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one?
The IUPAC name of (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one (CID 58436822) is (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one.
What is the SMILES notation for (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one?
The canonical SMILES for (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one is CO/N=C(\CC(C)C(=O)Cc1cccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one?
The InChIKey is VAGVTDQVLNRDAD-OQKWZONESA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-12(18(23)9-13-4-3-7-21-11-13)8-17(22-24-2)14-5-6-15(19)16(20)10-14/h3-7,10-12H,8-9H2,1-2H3/b22-17+.
What are the key properties of (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one?
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one has a molecular weight of 365.26 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one is sourced from PubChem (CID 58436822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).