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

C12H20INO2 — CID 15698612

IUPAC(4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one
SMILESC=C(I)[C@H]1NC(=O)O[C@@H]1CCCCCCC
InChIInChI=1S/C12H20INO2/c1-3-4-5-6-7-8-10-11(9(2)13)14-12(15)16-10/h10-11H,2-8H2,1H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyMWQDMKPGPGYFMG-GHMZBOCLSA-N
MW337.20 g/mol
LogP3.77
Rot. Bonds7

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

(4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one (PubChem CID 15698612) has the molecular formula C12H20INO2 and a molecular weight of 337.20 g/mol. Its IUPAC name is (4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one
PubChem CID15698612
Molecular FormulaC12H20INO2
Molecular Weight337.20 g/mol
Exact Mass337.05
IUPAC Name(4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one
SMILESC=C(I)[C@H]1NC(=O)O[C@@H]1CCCCCCC
InChIInChI=1S/C12H20INO2/c1-3-4-5-6-7-8-10-11(9(2)13)14-12(15)16-10/h10-11H,2-8H2,1H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyMWQDMKPGPGYFMG-GHMZBOCLSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one (CID 15698612) is (4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one is C=C(I)[C@H]1NC(=O)O[C@@H]1CCCCCCC.
What is the InChIKey of (4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one?
The InChIKey is MWQDMKPGPGYFMG-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20INO2/c1-3-4-5-6-7-8-10-11(9(2)13)14-12(15)16-10/h10-11H,2-8H2,1H3,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of (4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one?
(4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one has a molecular weight of 337.20 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-heptyl-4-(1-iodoethenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15698612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).