2-(2-iodoanilino)cyclohex-2-en-1-one

C12H12INO — CID 23199403

IUPAC2-(2-iodoanilino)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1Nc1ccccc1I
InChIInChI=1S/C12H12INO/c13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15/h1-2,5-7,14H,3-4,8H2
InChIKeyHMRBTKHLVMIJEF-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.34
Rot. Bonds2

About 2-(2-iodoanilino)cyclohex-2-en-1-one

2-(2-iodoanilino)cyclohex-2-en-1-one (PubChem CID 23199403) has the molecular formula C12H12INO and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-(2-iodoanilino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(2-iodoanilino)cyclohex-2-en-1-one
PubChem CID23199403
Molecular FormulaC12H12INO
Molecular Weight313.14 g/mol
Exact Mass313.00
IUPAC Name2-(2-iodoanilino)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1Nc1ccccc1I
InChIInChI=1S/C12H12INO/c13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15/h1-2,5-7,14H,3-4,8H2
InChIKeyHMRBTKHLVMIJEF-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoanilino)cyclohex-2-en-1-one?
The IUPAC name of 2-(2-iodoanilino)cyclohex-2-en-1-one (CID 23199403) is 2-(2-iodoanilino)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(2-iodoanilino)cyclohex-2-en-1-one?
The canonical SMILES for 2-(2-iodoanilino)cyclohex-2-en-1-one is O=C1CCCC=C1Nc1ccccc1I.
What is the InChIKey of 2-(2-iodoanilino)cyclohex-2-en-1-one?
The InChIKey is HMRBTKHLVMIJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO/c13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15/h1-2,5-7,14H,3-4,8H2.
What are the key properties of 2-(2-iodoanilino)cyclohex-2-en-1-one?
2-(2-iodoanilino)cyclohex-2-en-1-one has a molecular weight of 313.14 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoanilino)cyclohex-2-en-1-one is sourced from PubChem (CID 23199403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).