(4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one

C11H17NO2 — CID 11435514

IUPAC(4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1[C@H](CC)OC(=O)N1CC=C
InChIInChI=1S/C11H17NO2/c1-4-7-9-10(6-3)14-11(13)12(9)8-5-2/h4-5,9-10H,1-2,6-8H2,3H3/t9-,10-/m0/s1
InChIKeyBWNRIUNNEIVRTP-UWVGGRQHSA-N
MW195.26 g/mol
LogP2.35
Rot. Bonds5

About (4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one

(4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one (PubChem CID 11435514) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one
PubChem CID11435514
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1[C@H](CC)OC(=O)N1CC=C
InChIInChI=1S/C11H17NO2/c1-4-7-9-10(6-3)14-11(13)12(9)8-5-2/h4-5,9-10H,1-2,6-8H2,3H3/t9-,10-/m0/s1
InChIKeyBWNRIUNNEIVRTP-UWVGGRQHSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one (CID 11435514) is (4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one is C=CC[C@H]1[C@H](CC)OC(=O)N1CC=C.
What is the InChIKey of (4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one?
The InChIKey is BWNRIUNNEIVRTP-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-7-9-10(6-3)14-11(13)12(9)8-5-2/h4-5,9-10H,1-2,6-8H2,3H3/t9-,10-/m0/s1.
What are the key properties of (4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one?
(4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one has a molecular weight of 195.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11435514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).