(5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one

C6H9NO2 — CID 641506

IUPAC(5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/[C@@H]1CNC(=O)O1
InChIInChI=1S/C6H9NO2/c1-2-3-5-4-7-6(8)9-5/h2-3,5H,4H2,1H3,(H,7,8)/b3-2+/t5-/m1/s1
InChIKeyBTBUQAYQZPEKPW-WVSAJJKCSA-N
MW127.14 g/mol
LogP0.67
Rot. Bonds1

About (5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one

(5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 641506) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID641506
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/[C@@H]1CNC(=O)O1
InChIInChI=1S/C6H9NO2/c1-2-3-5-4-7-6(8)9-5/h2-3,5H,4H2,1H3,(H,7,8)/b3-2+/t5-/m1/s1
InChIKeyBTBUQAYQZPEKPW-WVSAJJKCSA-N
XLogP0.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one (CID 641506) is (5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one is C/C=C/[C@@H]1CNC(=O)O1.
What is the InChIKey of (5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is BTBUQAYQZPEKPW-WVSAJJKCSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-3-5-4-7-6(8)9-5/h2-3,5H,4H2,1H3,(H,7,8)/b3-2+/t5-/m1/s1.
What are the key properties of (5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
(5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 641506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).