1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one

C7H11INO- — CID 163648674

IUPAC1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one
SMILESC[I-]C1C=CN(C)C(=O)C1
InChIInChI=1S/C7H11INO/c1-8-6-3-4-9(2)7(10)5-6/h3-4,6H,5H2,1-2H3/q-1
InChIKeyMIOIWGGODVQQMF-UHFFFAOYSA-N
MW252.07 g/mol
LogP-2.55
Rot. Bonds1

About 1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one

1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one (PubChem CID 163648674) has the molecular formula C7H11INO- and a molecular weight of 252.07 g/mol. Its IUPAC name is 1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one
PubChem CID163648674
Molecular FormulaC7H11INO-
Molecular Weight252.07 g/mol
Exact Mass251.99
IUPAC Name1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one
SMILESC[I-]C1C=CN(C)C(=O)C1
InChIInChI=1S/C7H11INO/c1-8-6-3-4-9(2)7(10)5-6/h3-4,6H,5H2,1-2H3/q-1
InChIKeyMIOIWGGODVQQMF-UHFFFAOYSA-N
XLogP-2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 5-2.55
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'}

Analyze 1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one
CID 14396546
1-methyl-4-prop-2-enyl-3,4-dihydropyridin-2-one
CID 102398243
1-methyl-3H-pyrrol-2-one
CID 5325710
(3R)-3-amino-1-methyl-3H-azepin-2-one
CID 162732977
(7S)-4-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 134858401
(1R,2S,6S,7R)-4-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98104406
4-ethynyl-1-methylazetidin-2-one
CID 59755737
ethane;4-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;tritiomethane
CID 91005858
methanethiol;1-methyl-3-methylsulfanylpyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
CID 160581032
3-(3,4-dihydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358283
4-methyl-4-azabicyclo[5.2.0]non-5-ene-3-thione
CID 89130797
3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 107358260

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one (CID 163648674) is 1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one is C[I-]C1C=CN(C)C(=O)C1.
What is the InChIKey of 1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one?
The InChIKey is MIOIWGGODVQQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11INO/c1-8-6-3-4-9(2)7(10)5-6/h3-4,6H,5H2,1-2H3/q-1.
What are the key properties of 1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one?
1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one has a molecular weight of 252.07 g/mol, XLogP of -2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methyliodanuidyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 163648674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).