5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one

C7H11NO3 — CID 11344149

IUPAC5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1CC(CO)OC1=O
InChIInChI=1S/C7H11NO3/c1-2-3-8-4-6(5-9)11-7(8)10/h2,6,9H,1,3-5H2
InChIKeyMFXZKUJCSHVOMG-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.01
Rot. Bonds3

About 5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one

5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 11344149) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID11344149
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CCN1CC(CO)OC1=O
InChIInChI=1S/C7H11NO3/c1-2-3-8-4-6(5-9)11-7(8)10/h2,6,9H,1,3-5H2
InChIKeyMFXZKUJCSHVOMG-UHFFFAOYSA-N
XLogP-0.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.01
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 5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one (CID 11344149) is 5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one is C=CCN1CC(CO)OC1=O.
What is the InChIKey of 5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is MFXZKUJCSHVOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-3-8-4-6(5-9)11-7(8)10/h2,6,9H,1,3-5H2.
What are the key properties of 5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 157.17 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11344149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).