(4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one

C9H13NO3 — CID 15177634

IUPAC(4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1[C@H](CC)OC(=O)N1C(C)=O
InChIInChI=1S/C9H13NO3/c1-4-7-8(5-2)13-9(12)10(7)6(3)11/h4,7-8H,1,5H2,2-3H3/t7-,8+/m1/s1
InChIKeyWGDWHGCZBCJEHG-SFYZADRCSA-N
MW183.21 g/mol
LogP1.32
Rot. Bonds2

About (4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one

(4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 15177634) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one
PubChem CID15177634
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1[C@H](CC)OC(=O)N1C(C)=O
InChIInChI=1S/C9H13NO3/c1-4-7-8(5-2)13-9(12)10(7)6(3)11/h4,7-8H,1,5H2,2-3H3/t7-,8+/m1/s1
InChIKeyWGDWHGCZBCJEHG-SFYZADRCSA-N
XLogP1.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 101807711
3-Hex-5-en-3-yl-1,3-oxazolidin-2-one
CID 10678717
(4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one
CID 11435514
(4R,5R)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one
CID 15177633
tert-butyl (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11506988
3-Butyl-4-ethenyl-1,3-oxazolidin-2-one
CID 22891809
4-Ethenyl-3-propyl-1,3-oxazolidin-2-one
CID 22891812
3-Acetyl-4-ethenyl-1,3-oxazolidin-2-one
CID 23405610
3-Methyl-5-prop-2-enyl-1,3-oxazolidin-2-one
CID 59351914
Tert-butyl 4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 72988231
(4S)-3-hex-5-enyl-4-methyl-1,3-oxazolidin-2-one
CID 117766501
(4R)-3-hex-5-enyl-4-methyl-1,3-oxazolidin-2-one
CID 117766533

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one (CID 15177634) is (4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one is C=C[C@@H]1[C@H](CC)OC(=O)N1C(C)=O.
What is the InChIKey of (4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is WGDWHGCZBCJEHG-SFYZADRCSA-N. The full InChI is InChI=1S/C9H13NO3/c1-4-7-8(5-2)13-9(12)10(7)6(3)11/h4,7-8H,1,5H2,2-3H3/t7-,8+/m1/s1.
What are the key properties of (4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one?
(4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 183.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-acetyl-4-ethenyl-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15177634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).