3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one

C18H15NO2 — CID 53044232

IUPAC3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Cc1cc3ccccc3o1)C(=O)N2
InChIInChI=1S/C18H15NO2/c1-11-6-7-16-14(8-11)15(18(20)19-16)10-13-9-12-4-2-3-5-17(12)21-13/h2-9,15H,10H2,1H3,(H,19,20)
InChIKeyVMUJJHALHZEUCG-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.02
Rot. Bonds2

About 3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one

3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one (PubChem CID 53044232) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one
PubChem CID53044232
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Cc1cc3ccccc3o1)C(=O)N2
InChIInChI=1S/C18H15NO2/c1-11-6-7-16-14(8-11)15(18(20)19-16)10-13-9-12-4-2-3-5-17(12)21-13/h2-9,15H,10H2,1H3,(H,19,20)
InChIKeyVMUJJHALHZEUCG-UHFFFAOYSA-N
XLogP4.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one (CID 53044232) is 3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(Cc1cc3ccccc3o1)C(=O)N2.
What is the InChIKey of 3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is VMUJJHALHZEUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-11-6-7-16-14(8-11)15(18(20)19-16)10-13-9-12-4-2-3-5-17(12)21-13/h2-9,15H,10H2,1H3,(H,19,20).
What are the key properties of 3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one?
3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 277.32 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-ylmethyl)-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 53044232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).