1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole

C13H19NO — CID 143109251

IUPAC1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole
SMILESCOCCCn1cc(C)c2c1=CCCC=2
InChIInChI=1S/C13H19NO/c1-11-10-14(8-5-9-15-2)13-7-4-3-6-12(11)13/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyAQMDIMBYAWDLQJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.19
Rot. Bonds4

About 1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole

1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole (PubChem CID 143109251) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole
PubChem CID143109251
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole
SMILESCOCCCn1cc(C)c2c1=CCCC=2
InChIInChI=1S/C13H19NO/c1-11-10-14(8-5-9-15-2)13-7-4-3-6-12(11)13/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyAQMDIMBYAWDLQJ-UHFFFAOYSA-N
XLogP1.19
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole?
The IUPAC name of 1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole (CID 143109251) is 1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole.
What is the SMILES notation for 1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole?
The canonical SMILES for 1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole is COCCCn1cc(C)c2c1=CCCC=2.
What is the InChIKey of 1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole?
The InChIKey is AQMDIMBYAWDLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-10-14(8-5-9-15-2)13-7-4-3-6-12(11)13/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole?
1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole has a molecular weight of 205.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-methyl-5,6-dihydroindole is sourced from PubChem (CID 143109251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).