4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one

C9H13NO2 — CID 89346252

IUPAC4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one
SMILESC=C/C(=C\C)C1OC(=O)NC1C
InChIInChI=1S/C9H13NO2/c1-4-7(5-2)8-6(3)10-9(11)12-8/h4-6,8H,1H2,2-3H3,(H,10,11)/b7-5+
InChIKeyGBZNPTQZGJWUOX-FNORWQNLSA-N
MW167.21 g/mol
LogP1.62
Rot. Bonds2

About 4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one

4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one (PubChem CID 89346252) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one
PubChem CID89346252
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one
SMILESC=C/C(=C\C)C1OC(=O)NC1C
InChIInChI=1S/C9H13NO2/c1-4-7(5-2)8-6(3)10-9(11)12-8/h4-6,8H,1H2,2-3H3,(H,10,11)/b7-5+
InChIKeyGBZNPTQZGJWUOX-FNORWQNLSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.62
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 4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one (CID 89346252) is 4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one is C=C/C(=C\C)C1OC(=O)NC1C.
What is the InChIKey of 4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is GBZNPTQZGJWUOX-FNORWQNLSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-7(5-2)8-6(3)10-9(11)12-8/h4-6,8H,1H2,2-3H3,(H,10,11)/b7-5+.
What are the key properties of 4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one?
4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 89346252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).