4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one

C12H15NO — CID 114473556

IUPAC4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one
SMILESC=C(C)CCC(=O)c1cccc(C)n1
InChIInChI=1S/C12H15NO/c1-9(2)7-8-12(14)11-6-4-5-10(3)13-11/h4-6H,1,7-8H2,2-3H3
InChIKeyAJWWETGHWXULMO-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.93
Rot. Bonds4

About 4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one

4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one (PubChem CID 114473556) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one.

Molecular Properties

Compound Name4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one
PubChem CID114473556
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one
SMILESC=C(C)CCC(=O)c1cccc(C)n1
InChIInChI=1S/C12H15NO/c1-9(2)7-8-12(14)11-6-4-5-10(3)13-11/h4-6H,1,7-8H2,2-3H3
InChIKeyAJWWETGHWXULMO-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(6-methyl-2-pyridinyl)prop-2-en-1-one
CID 79191028
4-ethoxy-1-(6-methyl-2-pyridinyl)butan-1-one
CID 121013346
3-(6-methyl-2-pyridinyl)-3-oxopropanenitrile
CID 53435643
1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone
CID 2736945
2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55222118
6-methylpyridine-2-carbonyl iodide
CID 154552361
2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63556118
4-methyl-1-(3-methylphenyl)pent-4-en-1-one
CID 114473491
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
2-cyclopentyl-1-(6-methyl-2-pyridinyl)ethanone
CID 63555756
1-(6-methyl-2-pyridinyl)-2-propoxyethanone
CID 79567849
1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one
CID 123520554

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one?
The IUPAC name of 4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one (CID 114473556) is 4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one.
What is the SMILES notation for 4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one?
The canonical SMILES for 4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one is C=C(C)CCC(=O)c1cccc(C)n1.
What is the InChIKey of 4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one?
The InChIKey is AJWWETGHWXULMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)7-8-12(14)11-6-4-5-10(3)13-11/h4-6H,1,7-8H2,2-3H3.
What are the key properties of 4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one?
4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one is sourced from PubChem (CID 114473556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).