benzo[e][1]benzofuran;1,3-dihydroindol-2-one

C20H15NO2 — CID 175053136

IUPACbenzo[e][1]benzofuran;1,3-dihydroindol-2-one
SMILESO=C1Cc2ccccc2N1.c1ccc2c(c1)ccc1occc12
InChIInChI=1S/C12H8O.C8H7NO/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12;10-8-5-6-3-1-2-4-7(6)9-8/h1-8H;1-4H,5H2,(H,9,10)
InChIKeyBRJJWWUXLLNHJW-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.77
Rot. Bonds

About benzo[e][1]benzofuran;1,3-dihydroindol-2-one

benzo[e][1]benzofuran;1,3-dihydroindol-2-one (PubChem CID 175053136) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is benzo[e][1]benzofuran;1,3-dihydroindol-2-one.

Molecular Properties

Compound Namebenzo[e][1]benzofuran;1,3-dihydroindol-2-one
PubChem CID175053136
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Namebenzo[e][1]benzofuran;1,3-dihydroindol-2-one
SMILESO=C1Cc2ccccc2N1.c1ccc2c(c1)ccc1occc12
InChIInChI=1S/C12H8O.C8H7NO/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12;10-8-5-6-3-1-2-4-7(6)9-8/h1-8H;1-4H,5H2,(H,9,10)
InChIKeyBRJJWWUXLLNHJW-UHFFFAOYSA-N
XLogP4.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3-dihydroindol-2-one;pyrrolo[3,2-b]pyrrole
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Frequently Asked Questions

What is the IUPAC name of benzo[e][1]benzofuran;1,3-dihydroindol-2-one?
The IUPAC name of benzo[e][1]benzofuran;1,3-dihydroindol-2-one (CID 175053136) is benzo[e][1]benzofuran;1,3-dihydroindol-2-one.
What is the SMILES notation for benzo[e][1]benzofuran;1,3-dihydroindol-2-one?
The canonical SMILES for benzo[e][1]benzofuran;1,3-dihydroindol-2-one is O=C1Cc2ccccc2N1.c1ccc2c(c1)ccc1occc12.
What is the InChIKey of benzo[e][1]benzofuran;1,3-dihydroindol-2-one?
The InChIKey is BRJJWWUXLLNHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O.C8H7NO/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12;10-8-5-6-3-1-2-4-7(6)9-8/h1-8H;1-4H,5H2,(H,9,10).
What are the key properties of benzo[e][1]benzofuran;1,3-dihydroindol-2-one?
benzo[e][1]benzofuran;1,3-dihydroindol-2-one has a molecular weight of 301.35 g/mol, XLogP of 4.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e][1]benzofuran;1,3-dihydroindol-2-one is sourced from PubChem (CID 175053136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).