(2S)-1-iodoazetidine-2-carbaldehyde

C4H6INO — CID 135189773

IUPAC(2S)-1-iodoazetidine-2-carbaldehyde
SMILESO=C[C@@H]1CCN1I
InChIInChI=1S/C4H6INO/c5-6-2-1-4(6)3-7/h3-4H,1-2H2/t4-/m0/s1
InChIKeyNASJQETUIXGKBS-BYPYZUCNSA-N
MW211.00 g/mol
LogP0.61
Rot. Bonds1

About (2S)-1-iodoazetidine-2-carbaldehyde

(2S)-1-iodoazetidine-2-carbaldehyde (PubChem CID 135189773) has the molecular formula C4H6INO and a molecular weight of 211.00 g/mol. Its IUPAC name is (2S)-1-iodoazetidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-iodoazetidine-2-carbaldehyde
PubChem CID135189773
Molecular FormulaC4H6INO
Molecular Weight211.00 g/mol
Exact Mass210.95
IUPAC Name(2S)-1-iodoazetidine-2-carbaldehyde
SMILESO=C[C@@H]1CCN1I
InChIInChI=1S/C4H6INO/c5-6-2-1-4(6)3-7/h3-4H,1-2H2/t4-/m0/s1
InChIKeyNASJQETUIXGKBS-BYPYZUCNSA-N
XLogP0.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.00
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-iodoazetidine-2-carbaldehyde?
The IUPAC name of (2S)-1-iodoazetidine-2-carbaldehyde (CID 135189773) is (2S)-1-iodoazetidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-iodoazetidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-iodoazetidine-2-carbaldehyde is O=C[C@@H]1CCN1I.
What is the InChIKey of (2S)-1-iodoazetidine-2-carbaldehyde?
The InChIKey is NASJQETUIXGKBS-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H6INO/c5-6-2-1-4(6)3-7/h3-4H,1-2H2/t4-/m0/s1.
What are the key properties of (2S)-1-iodoazetidine-2-carbaldehyde?
(2S)-1-iodoazetidine-2-carbaldehyde has a molecular weight of 211.00 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-iodoazetidine-2-carbaldehyde is sourced from PubChem (CID 135189773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).