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

C9H14INO2 — CID 135043486

IUPAC(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC/C(I)=C\[C@@H](C)[C@H]1OC(=O)N[C@H]1C
InChIInChI=1S/C9H14INO2/c1-5(4-6(2)10)8-7(3)11-9(12)13-8/h4-5,7-8H,1-3H3,(H,11,12)/b6-4+/t5-,7+,8-/m1/s1
InChIKeyRFEQXHISXKZDFE-GHIYWFSFSA-N
MW295.12 g/mol
LogP2.46
Rot. Bonds2

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

(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 135043486) has the molecular formula C9H14INO2 and a molecular weight of 295.12 g/mol. Its IUPAC name is (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID135043486
Molecular FormulaC9H14INO2
Molecular Weight295.12 g/mol
Exact Mass295.01
IUPAC Name(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC/C(I)=C\[C@@H](C)[C@H]1OC(=O)N[C@H]1C
InChIInChI=1S/C9H14INO2/c1-5(4-6(2)10)8-7(3)11-9(12)13-8/h4-5,7-8H,1-3H3,(H,11,12)/b6-4+/t5-,7+,8-/m1/s1
InChIKeyRFEQXHISXKZDFE-GHIYWFSFSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-4-benzyl-5-[(E,2S)-4-iodopent-3-en-2-yl]-1,3-oxazolidin-2-one
CID 135027570
(4R,5R)-5-[(2S)-butan-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 130754451
5-butan-2-yl-4-methyl-1,3-oxazolidin-2-one
CID 14742430
5-hydroxy-4-methyl-1,3-oxazolidin-2-one
CID 89199038
5-but-3-en-2-yl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130024180
(4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one
CID 11182889
(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one
CID 59706737
(4R,5S,6R)-4,5,6-trimethyl-1,3-oxazinan-2-one
CID 23246426
(4S,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one
CID 14841707
(4R,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methoxy-1,3-oxazolidin-2-one
CID 102316859
(4R)-5-(chloromethyl)-4-methyl-1,3-oxazolidin-2-one
CID 118216476
(5R)-5-(3,5-dichlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 70899650

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one (CID 135043486) is (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one is C/C(I)=C\[C@@H](C)[C@H]1OC(=O)N[C@H]1C.
What is the InChIKey of (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is RFEQXHISXKZDFE-GHIYWFSFSA-N. The full InChI is InChI=1S/C9H14INO2/c1-5(4-6(2)10)8-7(3)11-9(12)13-8/h4-5,7-8H,1-3H3,(H,11,12)/b6-4+/t5-,7+,8-/m1/s1.
What are the key properties of (4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one?
(4S,5R)-5-[(E,2R)-4-iodopent-3-en-2-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 295.12 g/mol, XLogP of 2.46, 2 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-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135043486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).