(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C11H18INO2 — CID 135043576

IUPAC(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC/C(I)=C\[C@@H](C)[C@H]1OC(=O)N[C@H]1C(C)C
InChIInChI=1S/C11H18INO2/c1-6(2)9-10(15-11(14)13-9)7(3)5-8(4)12/h5-7,9-10H,1-4H3,(H,13,14)/b8-5+/t7-,9+,10-/m1/s1
InChIKeyYKSSZVGOGMXNMC-ABOBYBSCSA-N
MW323.17 g/mol
LogP3.09
Rot. Bonds3

About (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 135043576) has the molecular formula C11H18INO2 and a molecular weight of 323.17 g/mol. Its IUPAC name is (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID135043576
Molecular FormulaC11H18INO2
Molecular Weight323.17 g/mol
Exact Mass323.04
IUPAC Name(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC/C(I)=C\[C@@H](C)[C@H]1OC(=O)N[C@H]1C(C)C
InChIInChI=1S/C11H18INO2/c1-6(2)9-10(15-11(14)13-9)7(3)5-8(4)12/h5-7,9-10H,1-4H3,(H,13,14)/b8-5+/t7-,9+,10-/m1/s1
InChIKeyYKSSZVGOGMXNMC-ABOBYBSCSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 135043576) is (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is C/C(I)=C\[C@@H](C)[C@H]1OC(=O)N[C@H]1C(C)C.
What is the InChIKey of (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YKSSZVGOGMXNMC-ABOBYBSCSA-N. The full InChI is InChI=1S/C11H18INO2/c1-6(2)9-10(15-11(14)13-9)7(3)5-8(4)12/h5-7,9-10H,1-4H3,(H,13,14)/b8-5+/t7-,9+,10-/m1/s1.
What are the key properties of (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 323.17 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135043576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).