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

C12H11NO2 — CID 11183269

IUPAC(4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one
SMILESC=C=CN1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C12H11NO2/c1-2-8-13-11(9-15-12(13)14)10-6-4-3-5-7-10/h3-8,11H,1,9H2/t11-/m0/s1
InChIKeyFPCDELJNAKUUJG-NSHDSACASA-N
MW201.22 g/mol
LogP2.48
Rot. Bonds2

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

(4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one (PubChem CID 11183269) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one
PubChem CID11183269
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one
SMILESC=C=CN1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C12H11NO2/c1-2-8-13-11(9-15-12(13)14)10-6-4-3-5-7-10/h3-8,11H,1,9H2/t11-/m0/s1
InChIKeyFPCDELJNAKUUJG-NSHDSACASA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one (CID 11183269) is (4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one is C=C=CN1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
The InChIKey is FPCDELJNAKUUJG-NSHDSACASA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-8-13-11(9-15-12(13)14)10-6-4-3-5-7-10/h3-8,11H,1,9H2/t11-/m0/s1.
What are the key properties of (4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
(4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one has a molecular weight of 201.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-3-propa-1,2-dienyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11183269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).