4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one

C6H9NO3 — CID 131991472

IUPAC4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CC=CO)CO1
InChIInChI=1S/C6H9NO3/c8-3-1-2-5-4-10-6(9)7-5/h1,3,5,8H,2,4H2,(H,7,9)
InChIKeyKRPLBOYAQWTSGZ-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.56
Rot. Bonds2

About 4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one

4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one (PubChem CID 131991472) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one
PubChem CID131991472
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CC=CO)CO1
InChIInChI=1S/C6H9NO3/c8-3-1-2-5-4-10-6(9)7-5/h1,3,5,8H,2,4H2,(H,7,9)
InChIKeyKRPLBOYAQWTSGZ-UHFFFAOYSA-N
XLogP0.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one (CID 131991472) is 4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one is O=C1NC(CC=CO)CO1.
What is the InChIKey of 4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one?
The InChIKey is KRPLBOYAQWTSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-3-1-2-5-4-10-6(9)7-5/h1,3,5,8H,2,4H2,(H,7,9).
What are the key properties of 4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one?
4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one has a molecular weight of 143.14 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyprop-2-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 131991472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).