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

1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079
7-methyl-1-[3-(4-methylphenoxy)propyl]indole-2,3-dione
CID 3157311
1-(6-hydroxyhexyl)-7-methylindole-2,3-dione
CID 107704083
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799
4-(7-methyl-2,3-dioxoindol-1-yl)butanoic acid
CID 61147180
methyl 3-(7-methyl-2,3-dioxoindol-1-yl)propanoate
CID 61146876
5-(7-methyl-2,3-dioxoindol-1-yl)pentanenitrile
CID 54965736
1-[4-(4-tert-butylphenoxy)butyl]-7-methylindole-2,3-dione
CID 18803297
1-(4-methoxybutyl)-6,7-dimethylindole-2,3-dione
CID 104647971
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875
1-[3-(ethylamino)propyl]-7-methylindole-2,3-dione
CID 61387911
4-iodo-2-[3-(2-methoxyethoxy)propyl]isoindole-1,3-dione
CID 103415708

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).