3-prop-2-enyloxiran-2-ol

C5H8O2 — CID 57188836

IUPAC3-prop-2-enyloxiran-2-ol
SMILESC=CCC1OC1O
InChIInChI=1S/C5H8O2/c1-2-3-4-5(6)7-4/h2,4-6H,1,3H2
InChIKeyHVKXJHLYTDWZPL-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.28
Rot. Bonds2

About 3-prop-2-enyloxiran-2-ol

3-prop-2-enyloxiran-2-ol (PubChem CID 57188836) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-prop-2-enyloxiran-2-ol.

Molecular Properties

Compound Name3-prop-2-enyloxiran-2-ol
PubChem CID57188836
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name3-prop-2-enyloxiran-2-ol
SMILESC=CCC1OC1O
InChIInChI=1S/C5H8O2/c1-2-3-4-5(6)7-4/h2,4-6H,1,3H2
InChIKeyHVKXJHLYTDWZPL-UHFFFAOYSA-N
XLogP0.28
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyloxiran-2-ol?
The IUPAC name of 3-prop-2-enyloxiran-2-ol (CID 57188836) is 3-prop-2-enyloxiran-2-ol.
What is the SMILES notation for 3-prop-2-enyloxiran-2-ol?
The canonical SMILES for 3-prop-2-enyloxiran-2-ol is C=CCC1OC1O.
What is the InChIKey of 3-prop-2-enyloxiran-2-ol?
The InChIKey is HVKXJHLYTDWZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-3-4-5(6)7-4/h2,4-6H,1,3H2.
What are the key properties of 3-prop-2-enyloxiran-2-ol?
3-prop-2-enyloxiran-2-ol has a molecular weight of 100.12 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyloxiran-2-ol is sourced from PubChem (CID 57188836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).