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

C8H13NO2 — CID 11480568

IUPAC(4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H]1NC(=O)O[C@H]1CC
InChIInChI=1S/C8H13NO2/c1-3-5-6-7(4-2)11-8(10)9-6/h3,6-7H,1,4-5H2,2H3,(H,9,10)/t6-,7-/m0/s1
InChIKeyKVYDQEXPKQQLPV-BQBZGAKWSA-N
MW155.20 g/mol
LogP1.45
Rot. Bonds3

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

(4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 11480568) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID11480568
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@@H]1NC(=O)O[C@H]1CC
InChIInChI=1S/C8H13NO2/c1-3-5-6-7(4-2)11-8(10)9-6/h3,6-7H,1,4-5H2,2H3,(H,9,10)/t6-,7-/m0/s1
InChIKeyKVYDQEXPKQQLPV-BQBZGAKWSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-But-3-enyl-1,3-oxazolidin-2-one
CID 89405757
(4R,5R)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11116158
(4R,5R)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 10877377
(4S,5S)-4-methoxy-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 10888159
(4R)-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11550047
(4R)-4-buta-2,3-dienyl-1,3-oxazolidin-2-one
CID 14941759
(4R)-4-(2-methylbuta-2,3-dienyl)-1,3-oxazolidin-2-one
CID 15420012
(4S,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632305
(4R,5S)-5-methyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 15632306
(4R,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
CID 55286559
(4R,5R)-4-(hydroxymethyl)-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 102072752
(4R,5R)-4-tert-butyl-5-ethenyl-1,3-oxazolidin-2-one
CID 102338359

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one (CID 11480568) is (4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one is C=CC[C@@H]1NC(=O)O[C@H]1CC.
What is the InChIKey of (4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is KVYDQEXPKQQLPV-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-5-6-7(4-2)11-8(10)9-6/h3,6-7H,1,4-5H2,2H3,(H,9,10)/t6-,7-/m0/s1.
What are the key properties of (4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one?
(4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11480568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).