methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

C12H19NO4 — CID 10868431

IUPACmethyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESC/C=C/C[C@@H](C)[C@H]1OC(=O)N(C)[C@@H]1C(=O)OC
InChIInChI=1S/C12H19NO4/c1-5-6-7-8(2)10-9(11(14)16-4)13(3)12(15)17-10/h5-6,8-10H,7H2,1-4H3/b6-5+/t8-,9+,10-/m1/s1
InChIKeyGGVWOJLXQGFZQE-RNWMEYJFSA-N
MW241.29 g/mol
LogP1.58
Rot. Bonds4

About methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 10868431) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID10868431
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESC/C=C/C[C@@H](C)[C@H]1OC(=O)N(C)[C@@H]1C(=O)OC
InChIInChI=1S/C12H19NO4/c1-5-6-7-8(2)10-9(11(14)16-4)13(3)12(15)17-10/h5-6,8-10H,7H2,1-4H3/b6-5+/t8-,9+,10-/m1/s1
InChIKeyGGVWOJLXQGFZQE-RNWMEYJFSA-N
XLogP1.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.58
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 methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (CID 10868431) is methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is C/C=C/C[C@@H](C)[C@H]1OC(=O)N(C)[C@@H]1C(=O)OC.
What is the InChIKey of methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is GGVWOJLXQGFZQE-RNWMEYJFSA-N. The full InChI is InChI=1S/C12H19NO4/c1-5-6-7-8(2)10-9(11(14)16-4)13(3)12(15)17-10/h5-6,8-10H,7H2,1-4H3/b6-5+/t8-,9+,10-/m1/s1.
What are the key properties of methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5R)-5-[(E,2R)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 10868431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).