3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one

C12H13NO2 — CID 73056739

IUPAC3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(/C=C\N2CCOC2=O)cc1
InChIInChI=1S/C12H13NO2/c1-10-2-4-11(5-3-10)6-7-13-8-9-15-12(13)14/h2-7H,8-9H2,1H3/b7-6-
InChIKeyJMKQZSJOZUKQPX-SREVYHEPSA-N
MW203.24 g/mol
LogP2.42
Rot. Bonds2

About 3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one

3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one (PubChem CID 73056739) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
PubChem CID73056739
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(/C=C\N2CCOC2=O)cc1
InChIInChI=1S/C12H13NO2/c1-10-2-4-11(5-3-10)6-7-13-8-9-15-12(13)14/h2-7H,8-9H2,1H3/b7-6-
InChIKeyJMKQZSJOZUKQPX-SREVYHEPSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one (CID 73056739) is 3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one is Cc1ccc(/C=C\N2CCOC2=O)cc1.
What is the InChIKey of 3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one?
The InChIKey is JMKQZSJOZUKQPX-SREVYHEPSA-N. The full InChI is InChI=1S/C12H13NO2/c1-10-2-4-11(5-3-10)6-7-13-8-9-15-12(13)14/h2-7H,8-9H2,1H3/b7-6-.
What are the key properties of 3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one?
3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 73056739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).