(5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one

C9H15NO2 — CID 70066100

IUPAC(5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESC=C[C@H]1CN(CC(C)C)C(=O)O1
InChIInChI=1S/C9H15NO2/c1-4-8-6-10(5-7(2)3)9(11)12-8/h4,7-8H,1,5-6H2,2-3H3/t8-/m0/s1
InChIKeyLCGCIBMPJWBQBW-QMMMGPOBSA-N
MW169.22 g/mol
LogP1.65
Rot. Bonds3

About (5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one

(5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 70066100) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID70066100
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESC=C[C@H]1CN(CC(C)C)C(=O)O1
InChIInChI=1S/C9H15NO2/c1-4-8-6-10(5-7(2)3)9(11)12-8/h4,7-8H,1,5-6H2,2-3H3/t8-/m0/s1
InChIKeyLCGCIBMPJWBQBW-QMMMGPOBSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
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 (5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 70066100) is (5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one is C=C[C@H]1CN(CC(C)C)C(=O)O1.
What is the InChIKey of (5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is LCGCIBMPJWBQBW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-8-6-10(5-7(2)3)9(11)12-8/h4,7-8H,1,5-6H2,2-3H3/t8-/m0/s1.
What are the key properties of (5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
(5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethenyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70066100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).