1-(2-methoxyethyl)-7-methylindole-2,3-dione

C12H13NO3 — CID 61146079

IUPAC1-(2-methoxyethyl)-7-methylindole-2,3-dione
SMILESCOCCN1C(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C12H13NO3/c1-8-4-3-5-9-10(8)13(6-7-16-2)12(15)11(9)14/h3-5H,6-7H2,1-2H3
InChIKeyIPRAAXFMQKAKAC-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.17
Rot. Bonds3

About 1-(2-methoxyethyl)-7-methylindole-2,3-dione

1-(2-methoxyethyl)-7-methylindole-2,3-dione (PubChem CID 61146079) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-methylindole-2,3-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7-methylindole-2,3-dione
PubChem CID61146079
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-(2-methoxyethyl)-7-methylindole-2,3-dione
SMILESCOCCN1C(=O)C(=O)c2cccc(C)c21
InChIInChI=1S/C12H13NO3/c1-8-4-3-5-9-10(8)13(6-7-16-2)12(15)11(9)14/h3-5H,6-7H2,1-2H3
InChIKeyIPRAAXFMQKAKAC-UHFFFAOYSA-N
XLogP1.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyethoxy)propyl]-7-methylindole-2,3-dione
CID 103410222
7-bromo-1-(2-methoxyethyl)indole-2,3-dione
CID 60726633
methyl 3-(7-methyl-2,3-dioxoindol-1-yl)propanoate
CID 61146876
5-bromo-1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61357129
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799
7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione
CID 3157311
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875
1-[2-(2,5-dichlorophenoxy)ethyl]-7-methylindole-2,3-dione
CID 18803273
1-(6-hydroxyhexyl)-7-methylindole-2,3-dione
CID 107704083
1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione
CID 61387891
1-[2-(tert-butylamino)ethyl]-7-methylindole-2,3-dione
CID 61387866
4-(7-methyl-2,3-dioxoindol-1-yl)butanoic acid
CID 61147180

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-methylindole-2,3-dione?
The IUPAC name of 1-(2-methoxyethyl)-7-methylindole-2,3-dione (CID 61146079) is 1-(2-methoxyethyl)-7-methylindole-2,3-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-7-methylindole-2,3-dione?
The canonical SMILES for 1-(2-methoxyethyl)-7-methylindole-2,3-dione is COCCN1C(=O)C(=O)c2cccc(C)c21.
What is the InChIKey of 1-(2-methoxyethyl)-7-methylindole-2,3-dione?
The InChIKey is IPRAAXFMQKAKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-4-3-5-9-10(8)13(6-7-16-2)12(15)11(9)14/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-7-methylindole-2,3-dione?
1-(2-methoxyethyl)-7-methylindole-2,3-dione has a molecular weight of 219.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7-methylindole-2,3-dione is sourced from PubChem (CID 61146079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).