(Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one

C12H15NO — CID 103447311

IUPAC(Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one
SMILESC/C=C(/CC)C(=O)c1cnccc1C
InChIInChI=1S/C12H15NO/c1-4-10(5-2)12(14)11-8-13-7-6-9(11)3/h4,6-8H,5H2,1-3H3/b10-4-
InChIKeyJFLUNHPCGBBLQJ-WMZJFQQLSA-N
MW189.26 g/mol
LogP2.93
Rot. Bonds3

About (Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one

(Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one (PubChem CID 103447311) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one
PubChem CID103447311
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one
SMILESC/C=C(/CC)C(=O)c1cnccc1C
InChIInChI=1S/C12H15NO/c1-4-10(5-2)12(14)11-8-13-7-6-9(11)3/h4,6-8H,5H2,1-3H3/b10-4-
InChIKeyJFLUNHPCGBBLQJ-WMZJFQQLSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylpyridine-3-carbonyl chloride
CID 22386188
1-(4-methyl-3-pyridinyl)prop-2-en-1-one
CID 112704889
2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 103446599
4-hydroxy-1-(4-methyl-3-pyridinyl)butan-1-one
CID 106677539
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
methyl 4-methylpyridine-3-carboxylate
CID 10877301
(4-methyl-3-pyridinyl) propanoate
CID 175779158
2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
CID 79078017
2-hydroxy-1-(4-methyl-3-pyridinyl)pentan-1-one
CID 103453788
2-(aminomethyl)-2-ethyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116603939
(5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone
CID 75406822
2-fluoro-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-one
CID 130562265

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one?
The IUPAC name of (Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one (CID 103447311) is (Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one.
What is the SMILES notation for (Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one?
The canonical SMILES for (Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one is C/C=C(/CC)C(=O)c1cnccc1C.
What is the InChIKey of (Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one?
The InChIKey is JFLUNHPCGBBLQJ-WMZJFQQLSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-10(5-2)12(14)11-8-13-7-6-9(11)3/h4,6-8H,5H2,1-3H3/b10-4-.
What are the key properties of (Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one?
(Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-1-(4-methyl-3-pyridinyl)but-2-en-1-one is sourced from PubChem (CID 103447311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).