(2S)-4-iodo-1-nitrosobutan-2-ol

C4H8INO2 — CID 88991296

IUPAC(2S)-4-iodo-1-nitrosobutan-2-ol
SMILESO=NC[C@@H](O)CCI
InChIInChI=1S/C4H8INO2/c5-2-1-4(7)3-6-8/h4,7H,1-3H2/t4-/m0/s1
InChIKeyLCYFNFNRWJIDOZ-BYPYZUCNSA-N
MW229.02 g/mol
LogP0.94
Rot. Bonds4

About (2S)-4-iodo-1-nitrosobutan-2-ol

(2S)-4-iodo-1-nitrosobutan-2-ol (PubChem CID 88991296) has the molecular formula C4H8INO2 and a molecular weight of 229.02 g/mol. Its IUPAC name is (2S)-4-iodo-1-nitrosobutan-2-ol.

Molecular Properties

Compound Name(2S)-4-iodo-1-nitrosobutan-2-ol
PubChem CID88991296
Molecular FormulaC4H8INO2
Molecular Weight229.02 g/mol
Exact Mass228.96
IUPAC Name(2S)-4-iodo-1-nitrosobutan-2-ol
SMILESO=NC[C@@H](O)CCI
InChIInChI=1S/C4H8INO2/c5-2-1-4(7)3-6-8/h4,7H,1-3H2/t4-/m0/s1
InChIKeyLCYFNFNRWJIDOZ-BYPYZUCNSA-N
XLogP0.94
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.02
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S)-4-iodo-1-nitrosobutan-2-ol?
The IUPAC name of (2S)-4-iodo-1-nitrosobutan-2-ol (CID 88991296) is (2S)-4-iodo-1-nitrosobutan-2-ol.
What is the SMILES notation for (2S)-4-iodo-1-nitrosobutan-2-ol?
The canonical SMILES for (2S)-4-iodo-1-nitrosobutan-2-ol is O=NC[C@@H](O)CCI.
What is the InChIKey of (2S)-4-iodo-1-nitrosobutan-2-ol?
The InChIKey is LCYFNFNRWJIDOZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8INO2/c5-2-1-4(7)3-6-8/h4,7H,1-3H2/t4-/m0/s1.
What are the key properties of (2S)-4-iodo-1-nitrosobutan-2-ol?
(2S)-4-iodo-1-nitrosobutan-2-ol has a molecular weight of 229.02 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-iodo-1-nitrosobutan-2-ol is sourced from PubChem (CID 88991296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).