1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione

C14H17NO3 — CID 61354634

IUPAC1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione
SMILESCOCCCN1C(=O)C(=O)c2c(C)cc(C)cc21
InChIInChI=1S/C14H17NO3/c1-9-7-10(2)12-11(8-9)15(5-4-6-18-3)14(17)13(12)16/h7-8H,4-6H2,1-3H3
InChIKeyOYWPMAVEEQZWOI-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.87
Rot. Bonds4

About 1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione

1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione (PubChem CID 61354634) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione
PubChem CID61354634
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione
SMILESCOCCCN1C(=O)C(=O)c2c(C)cc(C)cc21
InChIInChI=1S/C14H17NO3/c1-9-7-10(2)12-11(8-9)15(5-4-6-18-3)14(17)13(12)16/h7-8H,4-6H2,1-3H3
InChIKeyOYWPMAVEEQZWOI-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-Methylisatin
CID 16358
1-hexadecyl-1H-indole-2,3-dione
CID 3772674
1-Dodecylindoline-2,3-dione
CID 1897797
5,6-dimethyl-2,3-dihydro-1H-indole-2,3-dione
CID 52550
1-Allylisatin
CID 1713563
1-(propan-2-yl)-2,3-dihydro-1H-indole-2,3-dione
CID 2055049
4,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione
CID 3264931
1-Pentyl-1H-indole-2,3-dione
CID 1581092
1,7-dimethyl-1H-indole-2,3-dione
CID 4730265
1-ethyl-5-methyl-2,3-dihydro-1H-indole-2,3-dione
CID 2471305
1-Acetyl-1,2-dihydro-3H-indol-3-one
CID 538819
1-ethyl-1H-indole-2,3-dione
CID 316076

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione?
The IUPAC name of 1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione (CID 61354634) is 1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione.
What is the SMILES notation for 1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione?
The canonical SMILES for 1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione is COCCCN1C(=O)C(=O)c2c(C)cc(C)cc21.
What is the InChIKey of 1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione?
The InChIKey is OYWPMAVEEQZWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-7-10(2)12-11(8-9)15(5-4-6-18-3)14(17)13(12)16/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione?
1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione has a molecular weight of 247.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione is sourced from PubChem (CID 61354634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).