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

C11H15NO2 — CID 167060814

IUPAC(4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC=C(/C=C\C=C/C)[C@@H]1OC(=O)N[C@@H]1C
InChIInChI=1S/C11H15NO2/c1-4-5-6-7-8(2)10-9(3)12-11(13)14-10/h4-7,9-10H,2H2,1,3H3,(H,12,13)/b5-4-,7-6-/t9-,10+/m1/s1
InChIKeyFXTOMZDABMAADW-YLUSAMSGSA-N
MW193.25 g/mol
LogP2.17
Rot. Bonds3

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

(4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 167060814) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID167060814
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESC=C(/C=C\C=C/C)[C@@H]1OC(=O)N[C@@H]1C
InChIInChI=1S/C11H15NO2/c1-4-5-6-7-8(2)10-9(3)12-11(13)14-10/h4-7,9-10H,2H2,1,3H3,(H,12,13)/b5-4-,7-6-/t9-,10+/m1/s1
InChIKeyFXTOMZDABMAADW-YLUSAMSGSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.17
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,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one (CID 167060814) is (4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one is C=C(/C=C\C=C/C)[C@@H]1OC(=O)N[C@@H]1C.
What is the InChIKey of (4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is FXTOMZDABMAADW-YLUSAMSGSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-5-6-7-8(2)10-9(3)12-11(13)14-10/h4-7,9-10H,2H2,1,3H3,(H,12,13)/b5-4-,7-6-/t9-,10+/m1/s1.
What are the key properties of (4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one?
(4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 167060814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).