(4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one

C9H11NO2 — CID 164604662

IUPAC(4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one
SMILESC=C/C=C\C(=C)[C@@H]1COC(=O)N1
InChIInChI=1S/C9H11NO2/c1-3-4-5-7(2)8-6-12-9(11)10-8/h3-5,8H,1-2,6H2,(H,10,11)/b5-4-/t8-/m0/s1
InChIKeyFGHQPSJRMCOTSR-LGYSABEFSA-N
MW165.19 g/mol
LogP1.39
Rot. Bonds3

About (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one

(4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one (PubChem CID 164604662) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one
PubChem CID164604662
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one
SMILESC=C/C=C\C(=C)[C@@H]1COC(=O)N1
InChIInChI=1S/C9H11NO2/c1-3-4-5-7(2)8-6-12-9(11)10-8/h3-5,8H,1-2,6H2,(H,10,11)/b5-4-/t8-/m0/s1
InChIKeyFGHQPSJRMCOTSR-LGYSABEFSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one (CID 164604662) is (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one is C=C/C=C\C(=C)[C@@H]1COC(=O)N1.
What is the InChIKey of (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is FGHQPSJRMCOTSR-LGYSABEFSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-4-5-7(2)8-6-12-9(11)10-8/h3-5,8H,1-2,6H2,(H,10,11)/b5-4-/t8-/m0/s1.
What are the key properties of (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one?
(4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3Z)-hexa-1,3,5-trien-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164604662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).