cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone

C14H15NO2 — CID 10955347

IUPACcyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)C3CCC3)cc2c1
InChIInChI=1S/C14H15NO2/c1-17-11-5-6-12-10(7-11)8-13(15-12)14(16)9-3-2-4-9/h5-9,15H,2-4H2,1H3
InChIKeyMJHFJAPFVGGAQY-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.16
Rot. Bonds3

About cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone

cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 10955347) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID10955347
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namecyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)C3CCC3)cc2c1
InChIInChI=1S/C14H15NO2/c1-17-11-5-6-12-10(7-11)8-13(15-12)14(16)9-3-2-4-9/h5-9,15H,2-4H2,1H3
InChIKeyMJHFJAPFVGGAQY-UHFFFAOYSA-N
XLogP3.16
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl(1H-indol-2-yl)methanone
CID 129170874
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
2-cyclobutyl-5-methoxy-1H-indole
CID 84670139
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 125402338
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916
N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
CID 123205970
N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide
CID 91762188
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 97496283

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone (CID 10955347) is cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)C3CCC3)cc2c1.
What is the InChIKey of cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is MJHFJAPFVGGAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-11-5-6-12-10(7-11)8-13(15-12)14(16)9-3-2-4-9/h5-9,15H,2-4H2,1H3.
What are the key properties of cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone?
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 10955347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).