4-iodocyclohexane-1-carboxamide

C7H12INO — CID 89050662

IUPAC4-iodocyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(I)CC1
InChIInChI=1S/C7H12INO/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4H2,(H2,9,10)
InChIKeyLEDRKXHBROYJJK-UHFFFAOYSA-N
MW253.08 g/mol
LogP1.47
Rot. Bonds1

About 4-iodocyclohexane-1-carboxamide

4-iodocyclohexane-1-carboxamide (PubChem CID 89050662) has the molecular formula C7H12INO and a molecular weight of 253.08 g/mol. Its IUPAC name is 4-iodocyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-iodocyclohexane-1-carboxamide
PubChem CID89050662
Molecular FormulaC7H12INO
Molecular Weight253.08 g/mol
Exact Mass253.00
IUPAC Name4-iodocyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(I)CC1
InChIInChI=1S/C7H12INO/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4H2,(H2,9,10)
InChIKeyLEDRKXHBROYJJK-UHFFFAOYSA-N
XLogP1.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodocyclohexane-1-carboxamide?
The IUPAC name of 4-iodocyclohexane-1-carboxamide (CID 89050662) is 4-iodocyclohexane-1-carboxamide.
What is the SMILES notation for 4-iodocyclohexane-1-carboxamide?
The canonical SMILES for 4-iodocyclohexane-1-carboxamide is NC(=O)C1CCC(I)CC1.
What is the InChIKey of 4-iodocyclohexane-1-carboxamide?
The InChIKey is LEDRKXHBROYJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4H2,(H2,9,10).
What are the key properties of 4-iodocyclohexane-1-carboxamide?
4-iodocyclohexane-1-carboxamide has a molecular weight of 253.08 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodocyclohexane-1-carboxamide is sourced from PubChem (CID 89050662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).