(4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one

C11H16INO2 — CID 15698611

IUPAC(4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one
SMILESC=C(I)[C@H]1NC(=O)O[C@@H]1C1CCCCC1
InChIInChI=1S/C11H16INO2/c1-7(12)9-10(15-11(14)13-9)8-5-3-2-4-6-8/h8-10H,1-6H2,(H,13,14)/t9-,10-/m1/s1
InChIKeyOJMVWCXARCKURI-NXEZZACHSA-N
MW321.16 g/mol
LogP2.99
Rot. Bonds2

About (4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one

(4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one (PubChem CID 15698611) has the molecular formula C11H16INO2 and a molecular weight of 321.16 g/mol. Its IUPAC name is (4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one
PubChem CID15698611
Molecular FormulaC11H16INO2
Molecular Weight321.16 g/mol
Exact Mass321.02
IUPAC Name(4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one
SMILESC=C(I)[C@H]1NC(=O)O[C@@H]1C1CCCCC1
InChIInChI=1S/C11H16INO2/c1-7(12)9-10(15-11(14)13-9)8-5-3-2-4-6-8/h8-10H,1-6H2,(H,13,14)/t9-,10-/m1/s1
InChIKeyOJMVWCXARCKURI-NXEZZACHSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.99
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-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one (CID 15698611) is (4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one is C=C(I)[C@H]1NC(=O)O[C@@H]1C1CCCCC1.
What is the InChIKey of (4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one?
The InChIKey is OJMVWCXARCKURI-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16INO2/c1-7(12)9-10(15-11(14)13-9)8-5-3-2-4-6-8/h8-10H,1-6H2,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one?
(4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one has a molecular weight of 321.16 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-cyclohexyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15698611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).