(4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one

C13H13NO2 — CID 10976840

IUPAC(4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one
SMILESC=C=CN1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C13H13NO2/c1-2-8-14-12(10-16-13(14)15)9-11-6-4-3-5-7-11/h3-8,12H,1,9-10H2/t12-/m1/s1
InChIKeyMDYHXFVWMZONMB-GFCCVEGCSA-N
MW215.25 g/mol
LogP2.35
Rot. Bonds3

About (4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one (PubChem CID 10976840) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one
PubChem CID10976840
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one
SMILESC=C=CN1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C13H13NO2/c1-2-8-14-12(10-16-13(14)15)9-11-6-4-3-5-7-11/h3-8,12H,1,9-10H2/t12-/m1/s1
InChIKeyMDYHXFVWMZONMB-GFCCVEGCSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one (CID 10976840) is (4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one is C=C=CN1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
The InChIKey is MDYHXFVWMZONMB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-8-14-12(10-16-13(14)15)9-11-6-4-3-5-7-11/h3-8,12H,1,9-10H2/t12-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10976840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).