3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one

C11H16INO3 — CID 103185183

IUPAC3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one
SMILESCOCCCOCCn1cccc(I)c1=O
InChIInChI=1S/C11H16INO3/c1-15-7-3-8-16-9-6-13-5-2-4-10(12)11(13)14/h2,4-5H,3,6-9H2,1H3
InChIKeyOYWXTUWKGOZDCK-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.51
Rot. Bonds7

About 3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one

3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one (PubChem CID 103185183) has the molecular formula C11H16INO3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one
PubChem CID103185183
Molecular FormulaC11H16INO3
Molecular Weight337.16 g/mol
Exact Mass337.02
IUPAC Name3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one
SMILESCOCCCOCCn1cccc(I)c1=O
InChIInChI=1S/C11H16INO3/c1-15-7-3-8-16-9-6-13-5-2-4-10(12)11(13)14/h2,4-5H,3,6-9H2,1H3
InChIKeyOYWXTUWKGOZDCK-UHFFFAOYSA-N
XLogP1.51
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methoxypropoxy)ethyl]pyrimidin-2-one
CID 103184162
1-butyl-3-iodopyridin-2-one
CID 79785091
3-iodo-1-pentylpyridin-2-one
CID 79785003
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 103181719
3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one
CID 107017511
3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526375
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine
CID 103181721
5-iodo-3-[2-(3-methoxypropoxy)ethyl]-1-propylpyrimidine-2,4-dione
CID 103185199
5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione
CID 113427652
1-(2-methoxyethyl)-3-nitropyridin-2-one
CID 89012682
1-[2-(3-methoxypropoxy)ethyl]indole-7-carboxylic acid
CID 103180658
3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526386

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one?
The IUPAC name of 3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one (CID 103185183) is 3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one?
The canonical SMILES for 3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one is COCCCOCCn1cccc(I)c1=O.
What is the InChIKey of 3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one?
The InChIKey is OYWXTUWKGOZDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO3/c1-15-7-3-8-16-9-6-13-5-2-4-10(12)11(13)14/h2,4-5H,3,6-9H2,1H3.
What are the key properties of 3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one?
3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one has a molecular weight of 337.16 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 103185183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).