(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one

C10H13NO2 — CID 89265464

IUPAC(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one
SMILESC=C/C=C\C=C(/C)[C@H]1COC(=O)N1
InChIInChI=1S/C10H13NO2/c1-3-4-5-6-8(2)9-7-13-10(12)11-9/h3-6,9H,1,7H2,2H3,(H,11,12)/b5-4-,8-6+/t9-/m1/s1
InChIKeyGQVSKXGLFZOTRU-XEELBXGMSA-N
MW179.22 g/mol
LogP1.78
Rot. Bonds3

About (4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one

(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one (PubChem CID 89265464) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one
PubChem CID89265464
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one
SMILESC=C/C=C\C=C(/C)[C@H]1COC(=O)N1
InChIInChI=1S/C10H13NO2/c1-3-4-5-6-8(2)9-7-13-10(12)11-9/h3-6,9H,1,7H2,2H3,(H,11,12)/b5-4-,8-6+/t9-/m1/s1
InChIKeyGQVSKXGLFZOTRU-XEELBXGMSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.78
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 (4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one (CID 89265464) is (4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one is C=C/C=C\C=C(/C)[C@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is GQVSKXGLFZOTRU-XEELBXGMSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-4-5-6-8(2)9-7-13-10(12)11-9/h3-6,9H,1,7H2,2H3,(H,11,12)/b5-4-,8-6+/t9-/m1/s1.
What are the key properties of (4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one?
(4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 89265464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).