6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione

C12H12N2O2 — CID 169474313

IUPAC6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione
SMILESCNCC=Cc1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C12H12N2O2/c1-13-6-2-3-8-4-5-9-10(7-8)14-12(16)11(9)15/h2-5,7,13H,6H2,1H3,(H,14,15,16)
InChIKeyDBMZVPDGNMQJEM-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.05
Rot. Bonds3

About 6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione

6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione (PubChem CID 169474313) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione
PubChem CID169474313
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione
SMILESCNCC=Cc1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C12H12N2O2/c1-13-6-2-3-8-4-5-9-10(7-8)14-12(16)11(9)15/h2-5,7,13H,6H2,1H3,(H,14,15,16)
InChIKeyDBMZVPDGNMQJEM-UHFFFAOYSA-N
XLogP1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isatin
CID 7054
Acetylisatin
CID 11321
7-Methylisatin
CID 14313
1-Phenylisatin
CID 12884
1-Methylisatin
CID 16358
5-Methylisatin
CID 11840
5,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione
CID 38296
1-Benzylisatin
CID 264734
1-hexadecyl-1H-indole-2,3-dione
CID 3772674
5-Phenylisatin
CID 14810157
5-Iodoisatin
CID 88695
Indole-2,3-dione, 1-(hydroxymethyl)-
CID 39834

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione?
The IUPAC name of 6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione (CID 169474313) is 6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione.
What is the SMILES notation for 6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione?
The canonical SMILES for 6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione is CNCC=Cc1ccc2c(c1)NC(=O)C2=O.
What is the InChIKey of 6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione?
The InChIKey is DBMZVPDGNMQJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-13-6-2-3-8-4-5-9-10(7-8)14-12(16)11(9)15/h2-5,7,13H,6H2,1H3,(H,14,15,16).
What are the key properties of 6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione?
6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione has a molecular weight of 216.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)prop-1-enyl]-1H-indole-2,3-dione is sourced from PubChem (CID 169474313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).