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

C12H13NO2 — CID 122402062

IUPAC3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
SMILESCc1ccccc1/C=C/N1CCOC1=O
InChIInChI=1S/C12H13NO2/c1-10-4-2-3-5-11(10)6-7-13-8-9-15-12(13)14/h2-7H,8-9H2,1H3/b7-6+
InChIKeyQPDKADZGGYDADA-VOTSOKGWSA-N
MW203.24 g/mol
LogP2.42
Rot. Bonds2

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

3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one (PubChem CID 122402062) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
PubChem CID122402062
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
SMILESCc1ccccc1/C=C/N1CCOC1=O
InChIInChI=1S/C12H13NO2/c1-10-4-2-3-5-11(10)6-7-13-8-9-15-12(13)14/h2-7H,8-9H2,1H3/b7-6+
InChIKeyQPDKADZGGYDADA-VOTSOKGWSA-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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Related Compounds

3-[(Z)-2-(4-methylphenyl)ethenyl]-1,3-oxazolidin-2-one
CID 73056739
3-[(E)-2-phenylprop-1-enyl]-1,3-oxazolidin-2-one
CID 101211960
N-[(Z)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoyl]benzamide
CID 177479355
3-[(E)-2-[dimethyl(phenyl)silyl]-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132504006
3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
CID 141343638
ethane;(E)-3-(2-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 144503557
(E)-N-benzyl-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enamide
CID 101460563
ethyl (E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enoate
CID 101460562
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
CID 2729839
3-[(1E,8Z)-9-hydroxy-7-oxo-9-phenylnona-1,8-dienyl]-1,3-oxazolidin-2-one
CID 134942241
1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole
CID 26794182
3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one
CID 46894957

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one (CID 122402062) is 3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one is Cc1ccccc1/C=C/N1CCOC1=O.
What is the InChIKey of 3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one?
The InChIKey is QPDKADZGGYDADA-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H13NO2/c1-10-4-2-3-5-11(10)6-7-13-8-9-15-12(13)14/h2-7H,8-9H2,1H3/b7-6+.
What are the key properties of 3-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one?
3-[(E)-2-(2-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-[(E)-2-(2-methylphenyl)ethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 122402062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).