(4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one

C10H15NO4 — CID 147619814

IUPAC(4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/[C@H](OC)[C@@H]1COC(=O)N1C(C)=O
InChIInChI=1S/C10H15NO4/c1-4-5-9(14-3)8-6-15-10(13)11(8)7(2)12/h4-5,8-9H,6H2,1-3H3/b5-4+/t8-,9-/m0/s1
InChIKeyGDQORRBGVAVCHL-HXQNXIEXSA-N
MW213.23 g/mol
LogP0.94
Rot. Bonds3

About (4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one

(4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 147619814) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one
PubChem CID147619814
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/[C@H](OC)[C@@H]1COC(=O)N1C(C)=O
InChIInChI=1S/C10H15NO4/c1-4-5-9(14-3)8-6-15-10(13)11(8)7(2)12/h4-5,8-9H,6H2,1-3H3/b5-4+/t8-,9-/m0/s1
InChIKeyGDQORRBGVAVCHL-HXQNXIEXSA-N
XLogP0.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one (CID 147619814) is (4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one is C/C=C/[C@H](OC)[C@@H]1COC(=O)N1C(C)=O.
What is the InChIKey of (4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is GDQORRBGVAVCHL-HXQNXIEXSA-N. The full InChI is InChI=1S/C10H15NO4/c1-4-5-9(14-3)8-6-15-10(13)11(8)7(2)12/h4-5,8-9H,6H2,1-3H3/b5-4+/t8-,9-/m0/s1.
What are the key properties of (4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one?
(4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 213.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-acetyl-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 147619814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).