3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene

C15H19NO3 — CID 142842352

IUPAC3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene
SMILESCC/C=C/C(=O)N1CCOC1=O.Cc1ccccc1
InChIInChI=1S/C8H11NO3.C7H8/c1-2-3-4-7(10)9-5-6-12-8(9)11;1-7-5-3-2-4-6-7/h3-4H,2,5-6H2,1H3;2-6H,1H3/b4-3+;
InChIKeyHDTKEJYWTKBRHL-BJILWQEISA-N
MW261.32 g/mol
LogP2.93
Rot. Bonds2

About 3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene

3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene (PubChem CID 142842352) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene.

Molecular Properties

Compound Name3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene
PubChem CID142842352
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene
SMILESCC/C=C/C(=O)N1CCOC1=O.Cc1ccccc1
InChIInChI=1S/C8H11NO3.C7H8/c1-2-3-4-7(10)9-5-6-12-8(9)11;1-7-5-3-2-4-6-7/h3-4H,2,5-6H2,1H3;2-6H,1H3/b4-3+;
InChIKeyHDTKEJYWTKBRHL-BJILWQEISA-N
XLogP2.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene?
The IUPAC name of 3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene (CID 142842352) is 3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene.
What is the SMILES notation for 3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene?
The canonical SMILES for 3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene is CC/C=C/C(=O)N1CCOC1=O.Cc1ccccc1.
What is the InChIKey of 3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene?
The InChIKey is HDTKEJYWTKBRHL-BJILWQEISA-N. The full InChI is InChI=1S/C8H11NO3.C7H8/c1-2-3-4-7(10)9-5-6-12-8(9)11;1-7-5-3-2-4-6-7/h3-4H,2,5-6H2,1H3;2-6H,1H3/b4-3+;.
What are the key properties of 3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene?
3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene has a molecular weight of 261.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene is sourced from PubChem (CID 142842352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).