(2S)-2-iodoaziridine

C2H4IN — CID 89376361

IUPAC(2S)-2-iodoaziridine
SMILESI[C@H]1CN1
InChIInChI=1S/C2H4IN/c3-2-1-4-2/h2,4H,1H2/t2-/m1/s1
InChIKeyVCKQQFMLYIUXKI-UWTATZPHSA-N
MW168.97 g/mol
LogP0.35
Rot. Bonds

About (2S)-2-iodoaziridine

(2S)-2-iodoaziridine (PubChem CID 89376361) has the molecular formula C2H4IN and a molecular weight of 168.97 g/mol. Its IUPAC name is (2S)-2-iodoaziridine.

Molecular Properties

Compound Name(2S)-2-iodoaziridine
PubChem CID89376361
Molecular FormulaC2H4IN
Molecular Weight168.97 g/mol
Exact Mass168.94
IUPAC Name(2S)-2-iodoaziridine
SMILESI[C@H]1CN1
InChIInChI=1S/C2H4IN/c3-2-1-4-2/h2,4H,1H2/t2-/m1/s1
InChIKeyVCKQQFMLYIUXKI-UWTATZPHSA-N
XLogP0.35
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.97
LogP ≤ 50.35
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-iodoaziridine?
The IUPAC name of (2S)-2-iodoaziridine (CID 89376361) is (2S)-2-iodoaziridine.
What is the SMILES notation for (2S)-2-iodoaziridine?
The canonical SMILES for (2S)-2-iodoaziridine is I[C@H]1CN1.
What is the InChIKey of (2S)-2-iodoaziridine?
The InChIKey is VCKQQFMLYIUXKI-UWTATZPHSA-N. The full InChI is InChI=1S/C2H4IN/c3-2-1-4-2/h2,4H,1H2/t2-/m1/s1.
What are the key properties of (2S)-2-iodoaziridine?
(2S)-2-iodoaziridine has a molecular weight of 168.97 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-iodoaziridine is sourced from PubChem (CID 89376361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).