(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one

C17H17Cl2N3O2 — CID 58436870

IUPAC(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one
SMILESCO/N=C(\CCC(=O)Cc1cnc(C)nc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-11-20-9-12(10-21-11)7-14(23)4-6-17(22-24-2)13-3-5-15(18)16(19)8-13/h3,5,8-10H,4,6-7H2,1-2H3/b22-17+
InChIKeyFBVVUIXZWAUYEN-OQKWZONESA-N
MW366.25 g/mol
LogP4.03
Rot. Bonds7

About (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one

(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one (PubChem CID 58436870) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one.

Molecular Properties

Compound Name(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one
PubChem CID58436870
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one
SMILESCO/N=C(\CCC(=O)Cc1cnc(C)nc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-11-20-9-12(10-21-11)7-14(23)4-6-17(22-24-2)13-3-5-15(18)16(19)8-13/h3,5,8-10H,4,6-7H2,1-2H3/b22-17+
InChIKeyFBVVUIXZWAUYEN-OQKWZONESA-N
XLogP4.03
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(6-methyl-3-pyridinyl)pentan-2-one
CID 58436814
5-(3,4-dichlorophenyl)-1-(6-fluoro-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 76785955
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
(5E)-5-(3,4-dichlorophenyl)-1-(2,4-dimethyl-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 58436802
4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide
CID 75083596
cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
CID 75083508
(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
CID 87388083
4-(3-chloro-4-ethylphenyl)-4-methoxyiminobutanoic acid
CID 90932224
(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
CID 45101354
N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
CID 75083635
(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide
CID 45101407
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one
CID 58436822

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one?
The IUPAC name of (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one (CID 58436870) is (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one.
What is the SMILES notation for (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one?
The canonical SMILES for (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one is CO/N=C(\CCC(=O)Cc1cnc(C)nc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one?
The InChIKey is FBVVUIXZWAUYEN-OQKWZONESA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-11-20-9-12(10-21-11)7-14(23)4-6-17(22-24-2)13-3-5-15(18)16(19)8-13/h3,5,8-10H,4,6-7H2,1-2H3/b22-17+.
What are the key properties of (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one?
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one has a molecular weight of 366.25 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one is sourced from PubChem (CID 58436870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).