3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one

C19H17NO2 — CID 134959861

IUPAC3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(Cc2cc3ccccc3o2)c2ccccc21
InChIInChI=1S/C19H17NO2/c1-19(12-14-11-13-7-3-6-10-17(13)22-14)15-8-4-5-9-16(15)20(2)18(19)21/h3-11H,12H2,1-2H3
InChIKeyDOSBWZBRAJKYTE-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.91
Rot. Bonds2

About 3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one

3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one (PubChem CID 134959861) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one
PubChem CID134959861
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(Cc2cc3ccccc3o2)c2ccccc21
InChIInChI=1S/C19H17NO2/c1-19(12-14-11-13-7-3-6-10-17(13)22-14)15-8-4-5-9-16(15)20(2)18(19)21/h3-11H,12H2,1-2H3
InChIKeyDOSBWZBRAJKYTE-UHFFFAOYSA-N
XLogP3.91
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one?
The IUPAC name of 3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one (CID 134959861) is 3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one.
What is the SMILES notation for 3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one?
The canonical SMILES for 3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one is CN1C(=O)C(C)(Cc2cc3ccccc3o2)c2ccccc21.
What is the InChIKey of 3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one?
The InChIKey is DOSBWZBRAJKYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-19(12-14-11-13-7-3-6-10-17(13)22-14)15-8-4-5-9-16(15)20(2)18(19)21/h3-11H,12H2,1-2H3.
What are the key properties of 3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one?
3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-ylmethyl)-1,3-dimethylindol-2-one is sourced from PubChem (CID 134959861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).