2-cyclobutyl-5-methoxy-1H-indole

C13H15NO — CID 84670139

IUPAC2-cyclobutyl-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c(C3CCC3)cc2c1
InChIInChI=1S/C13H15NO/c1-15-11-5-6-12-10(7-11)8-13(14-12)9-3-2-4-9/h5-9,14H,2-4H2,1H3
InChIKeyZEAXCVRWGKGVHX-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.44
Rot. Bonds2

About 2-cyclobutyl-5-methoxy-1H-indole

2-cyclobutyl-5-methoxy-1H-indole (PubChem CID 84670139) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-cyclobutyl-5-methoxy-1H-indole.

Molecular Properties

Compound Name2-cyclobutyl-5-methoxy-1H-indole
PubChem CID84670139
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-cyclobutyl-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c(C3CCC3)cc2c1
InChIInChI=1S/C13H15NO/c1-15-11-5-6-12-10(7-11)8-13(14-12)9-3-2-4-9/h5-9,14H,2-4H2,1H3
InChIKeyZEAXCVRWGKGVHX-UHFFFAOYSA-N
XLogP3.44
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-6-methoxy-1H-indole
CID 69186205
2-[(2R)-aziridin-2-yl]-5-methoxy-1H-indole
CID 55263506
N-cyclohexyl-4-(5-methoxy-1H-indol-2-yl)piperidine-1-carboxamide
CID 113088262
5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088284
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole
CID 113088941
(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088227
2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088256
5-methoxy-1H-indole-2-thiol
CID 119094198
6-methoxy-3-piperidin-4-yl-1H-quinolin-2-one
CID 58181102
4-chloro-2-cyclobutyl-5-methoxy-1H-indole
CID 84699119
2-cyclopentyl-6-methoxynaphthalene
CID 67100251

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-methoxy-1H-indole?
The IUPAC name of 2-cyclobutyl-5-methoxy-1H-indole (CID 84670139) is 2-cyclobutyl-5-methoxy-1H-indole.
What is the SMILES notation for 2-cyclobutyl-5-methoxy-1H-indole?
The canonical SMILES for 2-cyclobutyl-5-methoxy-1H-indole is COc1ccc2[nH]c(C3CCC3)cc2c1.
What is the InChIKey of 2-cyclobutyl-5-methoxy-1H-indole?
The InChIKey is ZEAXCVRWGKGVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-15-11-5-6-12-10(7-11)8-13(14-12)9-3-2-4-9/h5-9,14H,2-4H2,1H3.
What are the key properties of 2-cyclobutyl-5-methoxy-1H-indole?
2-cyclobutyl-5-methoxy-1H-indole has a molecular weight of 201.27 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-methoxy-1H-indole is sourced from PubChem (CID 84670139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).