5,6-dimethoxy-1-propan-2-ylindole

C13H17NO2 — CID 134890484

IUPAC5,6-dimethoxy-1-propan-2-ylindole
SMILESCOc1cc2ccn(C(C)C)c2cc1OC
InChIInChI=1S/C13H17NO2/c1-9(2)14-6-5-10-7-12(15-3)13(16-4)8-11(10)14/h5-9H,1-4H3
InChIKeyBJICCYMGEBNXQS-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.24
Rot. Bonds3

About 5,6-dimethoxy-1-propan-2-ylindole

5,6-dimethoxy-1-propan-2-ylindole (PubChem CID 134890484) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5,6-dimethoxy-1-propan-2-ylindole.

Molecular Properties

Compound Name5,6-dimethoxy-1-propan-2-ylindole
PubChem CID134890484
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5,6-dimethoxy-1-propan-2-ylindole
SMILESCOc1cc2ccn(C(C)C)c2cc1OC
InChIInChI=1S/C13H17NO2/c1-9(2)14-6-5-10-7-12(15-3)13(16-4)8-11(10)14/h5-9H,1-4H3
InChIKeyBJICCYMGEBNXQS-UHFFFAOYSA-N
XLogP3.24
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-propan-2-ylindole?
The IUPAC name of 5,6-dimethoxy-1-propan-2-ylindole (CID 134890484) is 5,6-dimethoxy-1-propan-2-ylindole.
What is the SMILES notation for 5,6-dimethoxy-1-propan-2-ylindole?
The canonical SMILES for 5,6-dimethoxy-1-propan-2-ylindole is COc1cc2ccn(C(C)C)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1-propan-2-ylindole?
The InChIKey is BJICCYMGEBNXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)14-6-5-10-7-12(15-3)13(16-4)8-11(10)14/h5-9H,1-4H3.
What are the key properties of 5,6-dimethoxy-1-propan-2-ylindole?
5,6-dimethoxy-1-propan-2-ylindole has a molecular weight of 219.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-propan-2-ylindole is sourced from PubChem (CID 134890484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).