(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C15H17NO3 — CID 101113986

IUPAC(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC/C(C)=C/C(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C15H17NO3/c1-3-11(2)9-14(17)16-13(10-19-15(16)18)12-7-5-4-6-8-12/h4-9,13H,3,10H2,1-2H3/b11-9+/t13-/m0/s1
InChIKeyCGZAATMVERWOEI-STRFDMGBSA-N
MW259.31 g/mol
LogP3.06
Rot. Bonds3

About (4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101113986) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID101113986
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC/C(C)=C/C(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C15H17NO3/c1-3-11(2)9-14(17)16-13(10-19-15(16)18)12-7-5-4-6-8-12/h4-9,13H,3,10H2,1-2H3/b11-9+/t13-/m0/s1
InChIKeyCGZAATMVERWOEI-STRFDMGBSA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.06
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 (4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 101113986) is (4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is CC/C(C)=C/C(=O)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CGZAATMVERWOEI-STRFDMGBSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-11(2)9-14(17)16-13(10-19-15(16)18)12-7-5-4-6-8-12/h4-9,13H,3,10H2,1-2H3/b11-9+/t13-/m0/s1.
What are the key properties of (4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101113986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).