(2S)-oxirane-2-carbaldehyde

C3H4O2 — CID 18727110

IUPAC(2S)-oxirane-2-carbaldehyde
SMILESO=C[C@@H]1CO1
InChIInChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m1/s1
InChIKeyIWYRWIUNAVNFPE-GSVOUGTGSA-N
MW72.06 g/mol
LogP-0.42
Rot. Bonds1

About (2S)-oxirane-2-carbaldehyde

(2S)-oxirane-2-carbaldehyde (PubChem CID 18727110) has the molecular formula C3H4O2 and a molecular weight of 72.06 g/mol. Its IUPAC name is (2S)-oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-oxirane-2-carbaldehyde
PubChem CID18727110
Molecular FormulaC3H4O2
Molecular Weight72.06 g/mol
Exact Mass72.02
IUPAC Name(2S)-oxirane-2-carbaldehyde
SMILESO=C[C@@H]1CO1
InChIInChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m1/s1
InChIKeyIWYRWIUNAVNFPE-GSVOUGTGSA-N
XLogP-0.42
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.06
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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)-oxirane-2-carbaldehyde?
The IUPAC name of (2S)-oxirane-2-carbaldehyde (CID 18727110) is (2S)-oxirane-2-carbaldehyde.
What is the SMILES notation for (2S)-oxirane-2-carbaldehyde?
The canonical SMILES for (2S)-oxirane-2-carbaldehyde is O=C[C@@H]1CO1.
What is the InChIKey of (2S)-oxirane-2-carbaldehyde?
The InChIKey is IWYRWIUNAVNFPE-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m1/s1.
What are the key properties of (2S)-oxirane-2-carbaldehyde?
(2S)-oxirane-2-carbaldehyde has a molecular weight of 72.06 g/mol, XLogP of -0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-oxirane-2-carbaldehyde is sourced from PubChem (CID 18727110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).