(4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one

C8H13NO3 — CID 134859338

IUPAC(4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1[C@@H](CCC)OC(=O)N1O
InChIInChI=1S/C8H13NO3/c1-3-5-7-6(4-2)9(11)8(10)12-7/h4,6-7,11H,2-3,5H2,1H3/t6-,7+/m0/s1
InChIKeyKLPVWOMSDLRKAC-NKWVEPMBSA-N
MW171.20 g/mol
LogP1.55
Rot. Bonds3

About (4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one

(4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one (PubChem CID 134859338) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one
PubChem CID134859338
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one
SMILESC=C[C@H]1[C@@H](CCC)OC(=O)N1O
InChIInChI=1S/C8H13NO3/c1-3-5-7-6(4-2)9(11)8(10)12-7/h4,6-7,11H,2-3,5H2,1H3/t6-,7+/m0/s1
InChIKeyKLPVWOMSDLRKAC-NKWVEPMBSA-N
XLogP1.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one (CID 134859338) is (4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one is C=C[C@H]1[C@@H](CCC)OC(=O)N1O.
What is the InChIKey of (4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one?
The InChIKey is KLPVWOMSDLRKAC-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-5-7-6(4-2)9(11)8(10)12-7/h4,6-7,11H,2-3,5H2,1H3/t6-,7+/m0/s1.
What are the key properties of (4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one?
(4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-ethenyl-3-hydroxy-5-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134859338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).