oxirane-2-carbaldehyde;hydrobromide

C3H5BrO2 — CID 87753447

IUPACoxirane-2-carbaldehyde;hydrobromide
SMILESBr.O=CC1CO1
InChIInChI=1S/C3H4O2.BrH/c4-1-3-2-5-3;/h1,3H,2H2;1H
InChIKeyJLVQQCCZQVIHRY-UHFFFAOYSA-N
MW152.97 g/mol
LogP0.16
Rot. Bonds1

About oxirane-2-carbaldehyde;hydrobromide

oxirane-2-carbaldehyde;hydrobromide (PubChem CID 87753447) has the molecular formula C3H5BrO2 and a molecular weight of 152.97 g/mol. Its IUPAC name is oxirane-2-carbaldehyde;hydrobromide.

Molecular Properties

Compound Nameoxirane-2-carbaldehyde;hydrobromide
PubChem CID87753447
Molecular FormulaC3H5BrO2
Molecular Weight152.97 g/mol
Exact Mass151.95
IUPAC Nameoxirane-2-carbaldehyde;hydrobromide
SMILESBr.O=CC1CO1
InChIInChI=1S/C3H4O2.BrH/c4-1-3-2-5-3;/h1,3H,2H2;1H
InChIKeyJLVQQCCZQVIHRY-UHFFFAOYSA-N
XLogP0.16
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.97
LogP ≤ 50.16
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 oxirane-2-carbaldehyde;hydrobromide?
The IUPAC name of oxirane-2-carbaldehyde;hydrobromide (CID 87753447) is oxirane-2-carbaldehyde;hydrobromide.
What is the SMILES notation for oxirane-2-carbaldehyde;hydrobromide?
The canonical SMILES for oxirane-2-carbaldehyde;hydrobromide is Br.O=CC1CO1.
What is the InChIKey of oxirane-2-carbaldehyde;hydrobromide?
The InChIKey is JLVQQCCZQVIHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.BrH/c4-1-3-2-5-3;/h1,3H,2H2;1H.
What are the key properties of oxirane-2-carbaldehyde;hydrobromide?
oxirane-2-carbaldehyde;hydrobromide has a molecular weight of 152.97 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane-2-carbaldehyde;hydrobromide is sourced from PubChem (CID 87753447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).