1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione

C15H19NO4 — CID 103410222

IUPAC1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione
SMILESCOCCOCCCN1C(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C15H19NO4/c1-11-5-3-6-12-13(11)16(15(18)14(12)17)7-4-8-20-10-9-19-2/h3,5-6H,4,7-10H2,1-2H3
InChIKeyXQPAXCZZLLPKQB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.58
Rot. Bonds7

About 1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione

1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione (PubChem CID 103410222) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione
PubChem CID103410222
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione
SMILESCOCCOCCCN1C(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C15H19NO4/c1-11-5-3-6-12-13(11)16(15(18)14(12)17)7-4-8-20-10-9-19-2/h3,5-6H,4,7-10H2,1-2H3
InChIKeyXQPAXCZZLLPKQB-UHFFFAOYSA-N
XLogP1.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Acetylisatin
CID 11321
7-Methylisatin
CID 14313
1-Methylisatin
CID 16358
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
1-Methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carbonitrile
CID 515953
Indole-2,3-dione, 1-(hydroxymethyl)-
CID 39834
Ethyl isatin-N-acetate
CID 38750
1-Phenethylindoline-2,3-dione
CID 1894707
1-Dodecylindoline-2,3-dione
CID 1897797
5-Iodo-1-methylindoline-2,3-dione
CID 515949

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione (CID 103410222) is 1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione is COCCOCCCN1C(=O)C(=O)c2cccc(C)c21.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione?
The InChIKey is XQPAXCZZLLPKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-5-3-6-12-13(11)16(15(18)14(12)17)7-4-8-20-10-9-19-2/h3,5-6H,4,7-10H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione?
1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione has a molecular weight of 277.32 g/mol, XLogP of 1.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione is sourced from PubChem (CID 103410222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).