2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol

C7H13NO2 — CID 130523252

IUPAC2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol
SMILESC/C=C/CN1CC(O)CO1
InChIInChI=1S/C7H13NO2/c1-2-3-4-8-5-7(9)6-10-8/h2-3,7,9H,4-6H2,1H3/b3-2+
InChIKeyOBDGCKRNVMBQGF-NSCUHMNNSA-N
MW143.19 g/mol
LogP0.17
Rot. Bonds2

About 2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol

2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol (PubChem CID 130523252) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol
PubChem CID130523252
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol
SMILESC/C=C/CN1CC(O)CO1
InChIInChI=1S/C7H13NO2/c1-2-3-4-8-5-7(9)6-10-8/h2-3,7,9H,4-6H2,1H3/b3-2+
InChIKeyOBDGCKRNVMBQGF-NSCUHMNNSA-N
XLogP0.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol?
The IUPAC name of 2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol (CID 130523252) is 2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol.
What is the SMILES notation for 2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol?
The canonical SMILES for 2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol is C/C=C/CN1CC(O)CO1.
What is the InChIKey of 2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol?
The InChIKey is OBDGCKRNVMBQGF-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-4-8-5-7(9)6-10-8/h2-3,7,9H,4-6H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol?
2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol has a molecular weight of 143.19 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]-1,2-oxazolidin-4-ol is sourced from PubChem (CID 130523252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).