5-iodo-1-methyl-2,3-dihydropyridin-6-one

C6H8INO — CID 138981428

IUPAC5-iodo-1-methyl-2,3-dihydropyridin-6-one
SMILESCN1CCC=C(I)C1=O
InChIInChI=1S/C6H8INO/c1-8-4-2-3-5(7)6(8)9/h3H,2,4H2,1H3
InChIKeyYHUIIBPZNMXMPA-UHFFFAOYSA-N
MW237.04 g/mol
LogP1.17
Rot. Bonds

About 5-iodo-1-methyl-2,3-dihydropyridin-6-one

5-iodo-1-methyl-2,3-dihydropyridin-6-one (PubChem CID 138981428) has the molecular formula C6H8INO and a molecular weight of 237.04 g/mol. Its IUPAC name is 5-iodo-1-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name5-iodo-1-methyl-2,3-dihydropyridin-6-one
PubChem CID138981428
Molecular FormulaC6H8INO
Molecular Weight237.04 g/mol
Exact Mass236.97
IUPAC Name5-iodo-1-methyl-2,3-dihydropyridin-6-one
SMILESCN1CCC=C(I)C1=O
InChIInChI=1S/C6H8INO/c1-8-4-2-3-5(7)6(8)9/h3H,2,4H2,1H3
InChIKeyYHUIIBPZNMXMPA-UHFFFAOYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of 5-iodo-1-methyl-2,3-dihydropyridin-6-one (CID 138981428) is 5-iodo-1-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 5-iodo-1-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 5-iodo-1-methyl-2,3-dihydropyridin-6-one is CN1CCC=C(I)C1=O.
What is the InChIKey of 5-iodo-1-methyl-2,3-dihydropyridin-6-one?
The InChIKey is YHUIIBPZNMXMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INO/c1-8-4-2-3-5(7)6(8)9/h3H,2,4H2,1H3.
What are the key properties of 5-iodo-1-methyl-2,3-dihydropyridin-6-one?
5-iodo-1-methyl-2,3-dihydropyridin-6-one has a molecular weight of 237.04 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 138981428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).