(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one

C16H11NO2 — CID 36690022

IUPAC(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one
SMILESO=C1O[C@H](c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C16H11NO2/c18-16-12-7-2-1-6-11(12)15(19-16)13-9-17-14-8-4-3-5-10(13)14/h1-9,15,17H/t15-/m0/s1
InChIKeyNFKMAYYHLXEVDM-HNNXBMFYSA-N
MW249.27 g/mol
LogP3.43
Rot. Bonds1

About (3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one

(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one (PubChem CID 36690022) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is (3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one
PubChem CID36690022
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one
SMILESO=C1O[C@H](c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C16H11NO2/c18-16-12-7-2-1-6-11(12)15(19-16)13-9-17-14-8-4-3-5-10(13)14/h1-9,15,17H/t15-/m0/s1
InChIKeyNFKMAYYHLXEVDM-HNNXBMFYSA-N
XLogP3.43
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484828
(5R)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484827
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
(5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one
CID 10376523
3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene
CID 139526372
(3R)-3-(1H-indol-3-yl)-2-[(1R)-1-phenylethyl]-3H-isoindol-1-one
CID 41031632
(3R)-3-(1H-indol-3-yl)-2-[(1S)-1-phenylethyl]-3H-isoindol-1-one
CID 41031631
(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
CID 738147
(3S)-2-[(2S)-1-hydroxypropan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 7341830
2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one
CID 54777929

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one?
The IUPAC name of (3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one (CID 36690022) is (3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for (3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for (3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one is O=C1O[C@H](c2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of (3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one?
The InChIKey is NFKMAYYHLXEVDM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16-12-7-2-1-6-11(12)15(19-16)13-9-17-14-8-4-3-5-10(13)14/h1-9,15,17H/t15-/m0/s1.
What are the key properties of (3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one?
(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one has a molecular weight of 249.27 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 36690022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).