[1-(2-aminopropyl)indol-6-yl] methyl carbonate

C13H16N2O3 — CID 70252025

IUPAC[1-(2-aminopropyl)indol-6-yl] methyl carbonate
SMILESCOC(=O)Oc1ccc2ccn(CC(C)N)c2c1
InChIInChI=1S/C13H16N2O3/c1-9(14)8-15-6-5-10-3-4-11(7-12(10)15)18-13(16)17-2/h3-7,9H,8,14H2,1-2H3
InChIKeyYPDOYHVTNBJOBJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.13
Rot. Bonds3

About [1-(2-aminopropyl)indol-6-yl] methyl carbonate

[1-(2-aminopropyl)indol-6-yl] methyl carbonate (PubChem CID 70252025) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [1-(2-aminopropyl)indol-6-yl] methyl carbonate.

Molecular Properties

Compound Name[1-(2-aminopropyl)indol-6-yl] methyl carbonate
PubChem CID70252025
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[1-(2-aminopropyl)indol-6-yl] methyl carbonate
SMILESCOC(=O)Oc1ccc2ccn(CC(C)N)c2c1
InChIInChI=1S/C13H16N2O3/c1-9(14)8-15-6-5-10-3-4-11(7-12(10)15)18-13(16)17-2/h3-7,9H,8,14H2,1-2H3
InChIKeyYPDOYHVTNBJOBJ-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminopropyl)indol-6-yl] methyl carbonate?
The IUPAC name of [1-(2-aminopropyl)indol-6-yl] methyl carbonate (CID 70252025) is [1-(2-aminopropyl)indol-6-yl] methyl carbonate.
What is the SMILES notation for [1-(2-aminopropyl)indol-6-yl] methyl carbonate?
The canonical SMILES for [1-(2-aminopropyl)indol-6-yl] methyl carbonate is COC(=O)Oc1ccc2ccn(CC(C)N)c2c1.
What is the InChIKey of [1-(2-aminopropyl)indol-6-yl] methyl carbonate?
The InChIKey is YPDOYHVTNBJOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(14)8-15-6-5-10-3-4-11(7-12(10)15)18-13(16)17-2/h3-7,9H,8,14H2,1-2H3.
What are the key properties of [1-(2-aminopropyl)indol-6-yl] methyl carbonate?
[1-(2-aminopropyl)indol-6-yl] methyl carbonate has a molecular weight of 248.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminopropyl)indol-6-yl] methyl carbonate is sourced from PubChem (CID 70252025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).