cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone

C12H18INO — CID 138702100

IUPACcyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CC=C(I)CC1
InChIInChI=1S/C12H18INO/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10/h6,10H,1-5,7-9H2
InChIKeyPHDIKUGTHRZPOJ-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.12
Rot. Bonds1

About cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone

cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 138702100) has the molecular formula C12H18INO and a molecular weight of 319.19 g/mol. Its IUPAC name is cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID138702100
Molecular FormulaC12H18INO
Molecular Weight319.19 g/mol
Exact Mass319.04
IUPAC Namecyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CC=C(I)CC1
InChIInChI=1S/C12H18INO/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10/h6,10H,1-5,7-9H2
InChIKeyPHDIKUGTHRZPOJ-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone 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

(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclobutylmethanone
CID 130310982
cyclohexyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 166001224
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 17454082
1-(cyclohexanecarbonyl)-3-methylpiperidin-4-one
CID 114499917
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
ethane;(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-(oxan-4-yl)methanone
CID 144801844
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468
(4-methylidenecyclohexyl)-piperidin-1-ylmethanone
CID 90711558

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 138702100) is cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1CCCCC1)N1CC=C(I)CC1.
What is the InChIKey of cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is PHDIKUGTHRZPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10/h6,10H,1-5,7-9H2.
What are the key properties of cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone?
cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 319.19 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-iodo-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 138702100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).