5-hydroxy-5-iodopentanamide

C5H10INO2 — CID 131980527

IUPAC5-hydroxy-5-iodopentanamide
SMILESNC(=O)CCCC(O)I
InChIInChI=1S/C5H10INO2/c6-4(8)2-1-3-5(7)9/h4,8H,1-3H2,(H2,7,9)
InChIKeyZQSMVWQXCLWMCR-UHFFFAOYSA-N
MW243.04 g/mol
LogP0.40
Rot. Bonds4

About 5-hydroxy-5-iodopentanamide

5-hydroxy-5-iodopentanamide (PubChem CID 131980527) has the molecular formula C5H10INO2 and a molecular weight of 243.04 g/mol. Its IUPAC name is 5-hydroxy-5-iodopentanamide.

Molecular Properties

Compound Name5-hydroxy-5-iodopentanamide
PubChem CID131980527
Molecular FormulaC5H10INO2
Molecular Weight243.04 g/mol
Exact Mass242.98
IUPAC Name5-hydroxy-5-iodopentanamide
SMILESNC(=O)CCCC(O)I
InChIInChI=1S/C5H10INO2/c6-4(8)2-1-3-5(7)9/h4,8H,1-3H2,(H2,7,9)
InChIKeyZQSMVWQXCLWMCR-UHFFFAOYSA-N
XLogP0.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-hydroxy-5-iodopentanamide?
The IUPAC name of 5-hydroxy-5-iodopentanamide (CID 131980527) is 5-hydroxy-5-iodopentanamide.
What is the SMILES notation for 5-hydroxy-5-iodopentanamide?
The canonical SMILES for 5-hydroxy-5-iodopentanamide is NC(=O)CCCC(O)I.
What is the InChIKey of 5-hydroxy-5-iodopentanamide?
The InChIKey is ZQSMVWQXCLWMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO2/c6-4(8)2-1-3-5(7)9/h4,8H,1-3H2,(H2,7,9).
What are the key properties of 5-hydroxy-5-iodopentanamide?
5-hydroxy-5-iodopentanamide has a molecular weight of 243.04 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-iodopentanamide is sourced from PubChem (CID 131980527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).