N-hydroxy-3-iodohexanamide

C6H12INO2 — CID 91113859

IUPACN-hydroxy-3-iodohexanamide
SMILESCCCC(I)CC(=O)NO
InChIInChI=1S/C6H12INO2/c1-2-3-5(7)4-6(9)8-10/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyIUXOLBIJJMLRAT-UHFFFAOYSA-N
MW257.07 g/mol
LogP1.49
Rot. Bonds4

About N-hydroxy-3-iodohexanamide

N-hydroxy-3-iodohexanamide (PubChem CID 91113859) has the molecular formula C6H12INO2 and a molecular weight of 257.07 g/mol. Its IUPAC name is N-hydroxy-3-iodohexanamide.

Molecular Properties

Compound NameN-hydroxy-3-iodohexanamide
PubChem CID91113859
Molecular FormulaC6H12INO2
Molecular Weight257.07 g/mol
Exact Mass256.99
IUPAC NameN-hydroxy-3-iodohexanamide
SMILESCCCC(I)CC(=O)NO
InChIInChI=1S/C6H12INO2/c1-2-3-5(7)4-6(9)8-10/h5,10H,2-4H2,1H3,(H,8,9)
InChIKeyIUXOLBIJJMLRAT-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-iodohexanoic acid
CID 18000330
5-iodo-2,2-dimethyloctan-3-one
CID 22934188
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
(3R)-N-hydroxy-3-(pyrrolidine-1-carbonyl)heptanamide
CID 23520253
N-ethyl-2-iodopentan-1-amine
CID 163909587
(2R)-pentane-1,1,2-tricarboxylic acid
CID 54153831
(4S)-4-iodooctane
CID 97300695
4-(1-butoxyethenyl)-7-iododecan-5-one
CID 151380914
N-methyl-3-propan-2-yloxyhexanamide
CID 123688714
N,10-dihydroxyoctadecanamide
CID 146268733
N-hydroxytridecanamide
CID 14122613
methyl 2-hydroxypentanoate
CID 543619

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-iodohexanamide?
The IUPAC name of N-hydroxy-3-iodohexanamide (CID 91113859) is N-hydroxy-3-iodohexanamide.
What is the SMILES notation for N-hydroxy-3-iodohexanamide?
The canonical SMILES for N-hydroxy-3-iodohexanamide is CCCC(I)CC(=O)NO.
What is the InChIKey of N-hydroxy-3-iodohexanamide?
The InChIKey is IUXOLBIJJMLRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO2/c1-2-3-5(7)4-6(9)8-10/h5,10H,2-4H2,1H3,(H,8,9).
What are the key properties of N-hydroxy-3-iodohexanamide?
N-hydroxy-3-iodohexanamide has a molecular weight of 257.07 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-iodohexanamide is sourced from PubChem (CID 91113859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).