5-methyl-1-pyridin-3-ylhex-5-en-2-one

C12H15NO — CID 114473524

IUPAC5-methyl-1-pyridin-3-ylhex-5-en-2-one
SMILESC=C(C)CCC(=O)Cc1cccnc1
InChIInChI=1S/C12H15NO/c1-10(2)5-6-12(14)8-11-4-3-7-13-9-11/h3-4,7,9H,1,5-6,8H2,2H3
InChIKeyOVDDWMLSUGNIMI-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.55
Rot. Bonds5

About 5-methyl-1-pyridin-3-ylhex-5-en-2-one

5-methyl-1-pyridin-3-ylhex-5-en-2-one (PubChem CID 114473524) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-methyl-1-pyridin-3-ylhex-5-en-2-one.

Molecular Properties

Compound Name5-methyl-1-pyridin-3-ylhex-5-en-2-one
PubChem CID114473524
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-methyl-1-pyridin-3-ylhex-5-en-2-one
SMILESC=C(C)CCC(=O)Cc1cccnc1
InChIInChI=1S/C12H15NO/c1-10(2)5-6-12(14)8-11-4-3-7-13-9-11/h3-4,7,9H,1,5-6,8H2,2H3
InChIKeyOVDDWMLSUGNIMI-UHFFFAOYSA-N
XLogP2.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.55
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

5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611
1-pyridin-3-yldecan-2-one
CID 62621024
tert-butyl 4-oxo-5-pyridin-3-ylpentanoate
CID 58498103
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
4-ethoxy-1-pyridin-3-ylbutan-2-one
CID 94504995
5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one
CID 143930204
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
1-pyridin-3-ylpent-4-yn-2-one
CID 62551536
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62551189

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyridin-3-ylhex-5-en-2-one?
The IUPAC name of 5-methyl-1-pyridin-3-ylhex-5-en-2-one (CID 114473524) is 5-methyl-1-pyridin-3-ylhex-5-en-2-one.
What is the SMILES notation for 5-methyl-1-pyridin-3-ylhex-5-en-2-one?
The canonical SMILES for 5-methyl-1-pyridin-3-ylhex-5-en-2-one is C=C(C)CCC(=O)Cc1cccnc1.
What is the InChIKey of 5-methyl-1-pyridin-3-ylhex-5-en-2-one?
The InChIKey is OVDDWMLSUGNIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(2)5-6-12(14)8-11-4-3-7-13-9-11/h3-4,7,9H,1,5-6,8H2,2H3.
What are the key properties of 5-methyl-1-pyridin-3-ylhex-5-en-2-one?
5-methyl-1-pyridin-3-ylhex-5-en-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyridin-3-ylhex-5-en-2-one is sourced from PubChem (CID 114473524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).