1-(oxiran-2-yl)prop-2-en-1-ol

C5H8O2 — CID 5324169

IUPAC1-(oxiran-2-yl)prop-2-en-1-ol
SMILESC=CC(O)C1CO1
InChIInChI=1S/C5H8O2/c1-2-4(6)5-3-7-5/h2,4-6H,1,3H2
InChIKeyYYUNQECXARGEAQ-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.07
Rot. Bonds2

About 1-(oxiran-2-yl)prop-2-en-1-ol

1-(oxiran-2-yl)prop-2-en-1-ol (PubChem CID 5324169) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-(oxiran-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(oxiran-2-yl)prop-2-en-1-ol
PubChem CID5324169
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name1-(oxiran-2-yl)prop-2-en-1-ol
SMILESC=CC(O)C1CO1
InChIInChI=1S/C5H8O2/c1-2-4(6)5-3-7-5/h2,4-6H,1,3H2
InChIKeyYYUNQECXARGEAQ-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
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 1-(oxiran-2-yl)prop-2-en-1-ol?
The IUPAC name of 1-(oxiran-2-yl)prop-2-en-1-ol (CID 5324169) is 1-(oxiran-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(oxiran-2-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(oxiran-2-yl)prop-2-en-1-ol is C=CC(O)C1CO1.
What is the InChIKey of 1-(oxiran-2-yl)prop-2-en-1-ol?
The InChIKey is YYUNQECXARGEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-4(6)5-3-7-5/h2,4-6H,1,3H2.
What are the key properties of 1-(oxiran-2-yl)prop-2-en-1-ol?
1-(oxiran-2-yl)prop-2-en-1-ol has a molecular weight of 100.12 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 5324169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).