3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one

C13H13NO2 — CID 134941861

IUPAC3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one
SMILESC=C/C(=C/N1CCOC1=O)c1ccccc1
InChIInChI=1S/C13H13NO2/c1-2-11(12-6-4-3-5-7-12)10-14-8-9-16-13(14)15/h2-7,10H,1,8-9H2/b11-10-
InChIKeyCGWXWCZGLHPOML-KHPPLWFESA-N
MW215.25 g/mol
LogP2.67
Rot. Bonds3

About 3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one

3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one (PubChem CID 134941861) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one
PubChem CID134941861
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one
SMILESC=C/C(=C/N1CCOC1=O)c1ccccc1
InChIInChI=1S/C13H13NO2/c1-2-11(12-6-4-3-5-7-12)10-14-8-9-16-13(14)15/h2-7,10H,1,8-9H2/b11-10-
InChIKeyCGWXWCZGLHPOML-KHPPLWFESA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Benzyl-3-methyl-1,3-oxazolidin-2-one
CID 3046888
5H-Oxazolo(3,2-a)pyridin-5-one, 2,3-dihydro-7-phenyl-
CID 3050279
1-Pyrrolidinecarboxylic acid, 3-phenylpropyl ester
CID 24845422
3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 10657387
3-[2-(4-Fluorophenyl)ethynyl]-1,3-oxazolidin-2-one
CID 56946461
3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 92020209
3-Cinnamoyloxazolidin-2-one
CID 677095
3-Benzyl-1,3-oxazolidin-2-one
CID 10487528
3-(3-Phenylpropanoyl)oxazolidin-2-one
CID 13701771
5-Methylidene-3-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 164676290
3-Benzyl-5-fluoro-1,3-oxazolidin-2-one
CID 23656676
3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 122391411

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one (CID 134941861) is 3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one is C=C/C(=C/N1CCOC1=O)c1ccccc1.
What is the InChIKey of 3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one?
The InChIKey is CGWXWCZGLHPOML-KHPPLWFESA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-11(12-6-4-3-5-7-12)10-14-8-9-16-13(14)15/h2-7,10H,1,8-9H2/b11-10-.
What are the key properties of 3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one?
3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-2-phenylbuta-1,3-dienyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134941861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).