5-benzylindol-2-one

C15H11NO — CID 68714216

IUPAC5-benzylindol-2-one
SMILESO=C1C=c2cc(Cc3ccccc3)ccc2=N1
InChIInChI=1S/C15H11NO/c17-15-10-13-9-12(6-7-14(13)16-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyAKSFFWKIMJNMAJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.22
Rot. Bonds2

About 5-benzylindol-2-one

5-benzylindol-2-one (PubChem CID 68714216) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-benzylindol-2-one.

Molecular Properties

Compound Name5-benzylindol-2-one
PubChem CID68714216
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name5-benzylindol-2-one
SMILESO=C1C=c2cc(Cc3ccccc3)ccc2=N1
InChIInChI=1S/C15H11NO/c17-15-10-13-9-12(6-7-14(13)16-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyAKSFFWKIMJNMAJ-UHFFFAOYSA-N
XLogP1.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzylindol-2-one?
The IUPAC name of 5-benzylindol-2-one (CID 68714216) is 5-benzylindol-2-one.
What is the SMILES notation for 5-benzylindol-2-one?
The canonical SMILES for 5-benzylindol-2-one is O=C1C=c2cc(Cc3ccccc3)ccc2=N1.
What is the InChIKey of 5-benzylindol-2-one?
The InChIKey is AKSFFWKIMJNMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-15-10-13-9-12(6-7-14(13)16-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2.
What are the key properties of 5-benzylindol-2-one?
5-benzylindol-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylindol-2-one is sourced from PubChem (CID 68714216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).