3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one

C18H13NO2 — CID 19758388

IUPAC3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one
SMILESC=C(c1cc2ccccc2[nH]1)C1OC(=O)c2ccccc21
InChIInChI=1S/C18H13NO2/c1-11(16-10-12-6-2-5-9-15(12)19-16)17-13-7-3-4-8-14(13)18(20)21-17/h2-10,17,19H,1H2
InChIKeyBBDOHGGPSQDIEV-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.09
Rot. Bonds2

About 3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one

3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one (PubChem CID 19758388) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one
PubChem CID19758388
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one
SMILESC=C(c1cc2ccccc2[nH]1)C1OC(=O)c2ccccc21
InChIInChI=1S/C18H13NO2/c1-11(16-10-12-6-2-5-9-15(12)19-16)17-13-7-3-4-8-14(13)18(20)21-17/h2-10,17,19H,1H2
InChIKeyBBDOHGGPSQDIEV-UHFFFAOYSA-N
XLogP4.09
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one (CID 19758388) is 3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one is C=C(c1cc2ccccc2[nH]1)C1OC(=O)c2ccccc21.
What is the InChIKey of 3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one?
The InChIKey is BBDOHGGPSQDIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-11(16-10-12-6-2-5-9-15(12)19-16)17-13-7-3-4-8-14(13)18(20)21-17/h2-10,17,19H,1H2.
What are the key properties of 3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one?
3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one has a molecular weight of 275.31 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-indol-2-yl)ethenyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 19758388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).