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

C8H13NO3 — CID 147362282

IUPAC(4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/[C@H](OC)[C@@H]1COC(=O)N1
InChIInChI=1S/C8H13NO3/c1-3-4-7(11-2)6-5-12-8(10)9-6/h3-4,6-7H,5H2,1-2H3,(H,9,10)/b4-3+/t6-,7-/m0/s1
InChIKeyDHMPMZDMXZOARL-FWDZIHJBSA-N
MW171.20 g/mol
LogP0.69
Rot. Bonds3

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

(4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 147362282) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one
PubChem CID147362282
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/[C@H](OC)[C@@H]1COC(=O)N1
InChIInChI=1S/C8H13NO3/c1-3-4-7(11-2)6-5-12-8(10)9-6/h3-4,6-7H,5H2,1-2H3,(H,9,10)/b4-3+/t6-,7-/m0/s1
InChIKeyDHMPMZDMXZOARL-FWDZIHJBSA-N
XLogP0.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one (CID 147362282) is (4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one is C/C=C/[C@H](OC)[C@@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is DHMPMZDMXZOARL-FWDZIHJBSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-4-7(11-2)6-5-12-8(10)9-6/h3-4,6-7H,5H2,1-2H3,(H,9,10)/b4-3+/t6-,7-/m0/s1.
What are the key properties of (4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one?
(4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 147362282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).