1-Benzylisatin

C15H11NO2 — CID 264734

IUPAC1-benzylindole-2,3-dione
SMILESC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O
InChIInChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeySIISFRLGYDVIRG-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.10
Rot. Bonds2

About 1-Benzylisatin

1-Benzylisatin (PubChem CID 264734) has the molecular formula C15H11NO2 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-benzylindole-2,3-dione.

Molecular Properties

Compound Name1-Benzylisatin
PubChem CID264734
Molecular FormulaC15H11NO2
Molecular Weight237.25 g/mol
Exact Mass237.08
IUPAC Name1-benzylindole-2,3-dione
SMILESC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O
InChIInChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeySIISFRLGYDVIRG-UHFFFAOYSA-N
XLogP2.10
TPSA37.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity346

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Isatin
CID 7054
Tryptanthrin
CID 73549
Acetylisatin
CID 11321
N-Phenylphthalimide
CID 68215
7-Methylisatin
CID 14313
1-Phenylisatin
CID 12884
1-Methylisatin
CID 16358
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
1-(4-Chlorobenzyl)-1H-indole-2,3-dione
CID 277990
1-((4-bromophenyl)methyl)-2,3-dihydro-1H-indole-2,3-dione
CID 3008304
N-Methyloxindole
CID 6096
5-Methylisatin
CID 11840

Frequently Asked Questions

What is the IUPAC name of 1-Benzylisatin?
The IUPAC name of 1-Benzylisatin (CID 264734) is 1-benzylindole-2,3-dione.
What is the SMILES notation for 1-Benzylisatin?
The canonical SMILES for 1-Benzylisatin is C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O.
What is the InChIKey of 1-Benzylisatin?
The InChIKey is SIISFRLGYDVIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-Benzylisatin?
1-Benzylisatin has a molecular weight of 237.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Benzylisatin is sourced from PubChem (CID 264734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).