6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one

C14H16INO — CID 153451756

IUPAC6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one
SMILESCCc1ccccc1C1=CCC(I)C(=O)N1C
InChIInChI=1S/C14H16INO/c1-3-10-6-4-5-7-11(10)13-9-8-12(15)14(17)16(13)2/h4-7,9,12H,3,8H2,1-2H3
InChIKeyFQYITXAKAIOAKI-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.26
Rot. Bonds2

About 6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one

6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one (PubChem CID 153451756) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is 6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one
PubChem CID153451756
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC Name6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one
SMILESCCc1ccccc1C1=CCC(I)C(=O)N1C
InChIInChI=1S/C14H16INO/c1-3-10-6-4-5-7-11(10)13-9-8-12(15)14(17)16(13)2/h4-7,9,12H,3,8H2,1-2H3
InChIKeyFQYITXAKAIOAKI-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(2-chlorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one
CID 153451424
3-bromo-1-ethyl-6-(2-ethylphenyl)-3,4-dihydropyridin-2-one
CID 153450543
6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one
CID 161080139
7-(2-ethylphenyl)-2,3,4,5-tetrahydroazepine-1-carbaldehyde
CID 146193865
1-ethyl-3-iodo-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153450365
5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one
CID 141330846
3-bromo-1-ethyl-6-(2-ethylphenyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450542
(4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 125137770
(1R,2R,6S,7S)-4-(2-ethylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2177191
(1S,4S,8R,11S)-6,13-bis(2-ethylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,9-diene-5,7,12,14-tetrone
CID 28740554
1-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-2-ethylbenzene
CID 23015065
1,2-diethylbenzene;hydrobromide
CID 174973685

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one (CID 153451756) is 6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one is CCc1ccccc1C1=CCC(I)C(=O)N1C.
What is the InChIKey of 6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one?
The InChIKey is FQYITXAKAIOAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO/c1-3-10-6-4-5-7-11(10)13-9-8-12(15)14(17)16(13)2/h4-7,9,12H,3,8H2,1-2H3.
What are the key properties of 6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one?
6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one has a molecular weight of 341.19 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).