1-[(4-methylanilino)methyl]indole-2,3-dione

C16H14N2O2 — CID 2305233

IUPAC1-[(4-methylanilino)methyl]indole-2,3-dione
SMILESCc1ccc(NCN2C(=O)C(=O)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-10-18-14-5-3-2-4-13(14)15(19)16(18)20/h2-9,17H,10H2,1H3
InChIKeyUFTXSYLWLUWMAC-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.59
Rot. Bonds3

About 1-[(4-methylanilino)methyl]indole-2,3-dione

1-[(4-methylanilino)methyl]indole-2,3-dione (PubChem CID 2305233) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(4-methylanilino)methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(4-methylanilino)methyl]indole-2,3-dione
PubChem CID2305233
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-[(4-methylanilino)methyl]indole-2,3-dione
SMILESCc1ccc(NCN2C(=O)C(=O)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-10-18-14-5-3-2-4-13(14)15(19)16(18)20/h2-9,17H,10H2,1H3
InChIKeyUFTXSYLWLUWMAC-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylanilino)methyl]indole-2,3-dione?
The IUPAC name of 1-[(4-methylanilino)methyl]indole-2,3-dione (CID 2305233) is 1-[(4-methylanilino)methyl]indole-2,3-dione.
What is the SMILES notation for 1-[(4-methylanilino)methyl]indole-2,3-dione?
The canonical SMILES for 1-[(4-methylanilino)methyl]indole-2,3-dione is Cc1ccc(NCN2C(=O)C(=O)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylanilino)methyl]indole-2,3-dione?
The InChIKey is UFTXSYLWLUWMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-10-18-14-5-3-2-4-13(14)15(19)16(18)20/h2-9,17H,10H2,1H3.
What are the key properties of 1-[(4-methylanilino)methyl]indole-2,3-dione?
1-[(4-methylanilino)methyl]indole-2,3-dione has a molecular weight of 266.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylanilino)methyl]indole-2,3-dione is sourced from PubChem (CID 2305233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).