5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one

C20H23NO — CID 143930204

IUPAC5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one
SMILESC=C(CCC(=O)Cc1cccnc1)c1ccc(C)c(CC)c1
InChIInChI=1S/C20H23NO/c1-4-18-13-19(9-7-15(18)2)16(3)8-10-20(22)12-17-6-5-11-21-14-17/h5-7,9,11,13-14H,3-4,8,10,12H2,1-2H3
InChIKeyUJQSSHCPQAUCNT-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.56
Rot. Bonds7

About 5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one

5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one (PubChem CID 143930204) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one.

Molecular Properties

Compound Name5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one
PubChem CID143930204
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one
SMILESC=C(CCC(=O)Cc1cccnc1)c1ccc(C)c(CC)c1
InChIInChI=1S/C20H23NO/c1-4-18-13-19(9-7-15(18)2)16(3)8-10-20(22)12-17-6-5-11-21-14-17/h5-7,9,11,13-14H,3-4,8,10,12H2,1-2H3
InChIKeyUJQSSHCPQAUCNT-UHFFFAOYSA-N
XLogP4.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-pyridin-3-ylhex-5-en-2-one
CID 114473524
1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62551189
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
1-pyridin-3-yldecan-2-one
CID 62621024
4-ethoxy-1-pyridin-3-ylbutan-2-one
CID 94504995
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611
tert-butyl 4-oxo-5-pyridin-3-ylpentanoate
CID 58498103
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
ethyl 3-oxo-4-pyridin-3-ylbutanoate
CID 62551209
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
2-(3,4-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 82123368

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one?
The IUPAC name of 5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one (CID 143930204) is 5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one.
What is the SMILES notation for 5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one?
The canonical SMILES for 5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one is C=C(CCC(=O)Cc1cccnc1)c1ccc(C)c(CC)c1.
What is the InChIKey of 5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one?
The InChIKey is UJQSSHCPQAUCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-4-18-13-19(9-7-15(18)2)16(3)8-10-20(22)12-17-6-5-11-21-14-17/h5-7,9,11,13-14H,3-4,8,10,12H2,1-2H3.
What are the key properties of 5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one?
5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one has a molecular weight of 293.41 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-methylphenyl)-1-pyridin-3-ylhex-5-en-2-one is sourced from PubChem (CID 143930204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).