2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one

C14H9NO2S — CID 4888492

IUPAC2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one
SMILESO=c1nc(C=Cc2cccs2)oc2ccccc12
InChIInChI=1S/C14H9NO2S/c16-14-11-5-1-2-6-12(11)17-13(15-14)8-7-10-4-3-9-18-10/h1-9H
InChIKeyNXYKCVGBQHXTOZ-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.42
Rot. Bonds2

About 2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one

2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one (PubChem CID 4888492) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one
PubChem CID4888492
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one
SMILESO=c1nc(C=Cc2cccs2)oc2ccccc12
InChIInChI=1S/C14H9NO2S/c16-14-11-5-1-2-6-12(11)17-13(15-14)8-7-10-4-3-9-18-10/h1-9H
InChIKeyNXYKCVGBQHXTOZ-UHFFFAOYSA-N
XLogP3.42
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 4885938
2-[2-(5-methylfuran-2-yl)ethenyl]-1,3-benzoxazin-4-one
CID 4891351
2-[2-(4-methoxyphenyl)ethenyl]-1,3-benzoxazin-4-one
CID 3122852
4,5-diphenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole
CID 126495209
[2-[(Z)-2-(4-oxo-1,3-benzoxazin-2-yl)ethenyl]phenyl] acetate
CID 92955813
2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-benzoxazin-4-one;perchloric acid
CID 73242600
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
2-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]-1,3-benzoxazin-4-one
CID 68742008
2-(2-naphthalen-1-ylethenyl)thiophene
CID 71318541
ethyl 5-methyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carboxylate
CID 44557518
3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
CID 7822082
5-(dimethylamino)-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 2989339

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one?
The IUPAC name of 2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one (CID 4888492) is 2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one is O=c1nc(C=Cc2cccs2)oc2ccccc12.
What is the InChIKey of 2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one?
The InChIKey is NXYKCVGBQHXTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-14-11-5-1-2-6-12(11)17-13(15-14)8-7-10-4-3-9-18-10/h1-9H.
What are the key properties of 2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one?
2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one has a molecular weight of 255.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethenyl)-1,3-benzoxazin-4-one is sourced from PubChem (CID 4888492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).