5-amino-1-benzylindole-2,3-dione

C15H12N2O2 — CID 53306407

IUPAC5-amino-1-benzylindole-2,3-dione
SMILESNc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1
InChIInChI=1S/C15H12N2O2/c16-11-6-7-13-12(8-11)14(18)15(19)17(13)9-10-4-2-1-3-5-10/h1-8H,9,16H2
InChIKeyTUUMYNLGUOROMJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.00
Rot. Bonds2

About 5-amino-1-benzylindole-2,3-dione

5-amino-1-benzylindole-2,3-dione (PubChem CID 53306407) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-amino-1-benzylindole-2,3-dione.

Molecular Properties

Compound Name5-amino-1-benzylindole-2,3-dione
PubChem CID53306407
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-amino-1-benzylindole-2,3-dione
SMILESNc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1
InChIInChI=1S/C15H12N2O2/c16-11-6-7-13-12(8-11)14(18)15(19)17(13)9-10-4-2-1-3-5-10/h1-8H,9,16H2
InChIKeyTUUMYNLGUOROMJ-UHFFFAOYSA-N
XLogP2.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2,3-dioxoindole-5-carboxylic acid
CID 11708944
4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
CID 155669332
methyl 4-[(5-amino-2,3-dioxoindol-1-yl)methyl]benzoate
CID 155669339
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
5-amino-1-[(dimethylamino)methyl]indole-2,3-dione
CID 125478045
9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
CID 13035742
1-benzyl-6-(trifluoromethyl)indole-2,3-dione
CID 141454622
1-[(4-phenoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
CID 44602489
7-amino-1-benzyl-3-methylquinoline-2,4-dione
CID 83516927
2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide
CID 166625805
1-[(4-hydroxyphenyl)methyl]-2,3-dioxoindole-5-carboxamide
CID 129218234
5-bromo-1-[(4-methylphenyl)methyl]indole-2,3-dione
CID 3598956

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzylindole-2,3-dione?
The IUPAC name of 5-amino-1-benzylindole-2,3-dione (CID 53306407) is 5-amino-1-benzylindole-2,3-dione.
What is the SMILES notation for 5-amino-1-benzylindole-2,3-dione?
The canonical SMILES for 5-amino-1-benzylindole-2,3-dione is Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1.
What is the InChIKey of 5-amino-1-benzylindole-2,3-dione?
The InChIKey is TUUMYNLGUOROMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-11-6-7-13-12(8-11)14(18)15(19)17(13)9-10-4-2-1-3-5-10/h1-8H,9,16H2.
What are the key properties of 5-amino-1-benzylindole-2,3-dione?
5-amino-1-benzylindole-2,3-dione has a molecular weight of 252.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzylindole-2,3-dione is sourced from PubChem (CID 53306407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).