cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone

C14H15NO2 — CID 82277622

IUPACcyclobutyl-(7-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2c(C(=O)C3CCC3)c[nH]c12
InChIInChI=1S/C14H15NO2/c1-17-12-7-3-6-10-11(8-15-13(10)12)14(16)9-4-2-5-9/h3,6-9,15H,2,4-5H2,1H3
InChIKeyRBWKMKKAMGXLHM-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.16
Rot. Bonds3

About cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone

cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone (PubChem CID 82277622) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(7-methoxy-1H-indol-3-yl)methanone
PubChem CID82277622
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namecyclobutyl-(7-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2c(C(=O)C3CCC3)c[nH]c12
InChIInChI=1S/C14H15NO2/c1-17-12-7-3-6-10-11(8-15-13(10)12)14(16)9-4-2-5-9/h3,6-9,15H,2,4-5H2,1H3
InChIKeyRBWKMKKAMGXLHM-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

3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one
CID 10016783
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
(7-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 82497264
1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96675265
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
N-cyclopentyl-2-(7-methoxy-1H-indol-3-yl)acetamide
CID 110848702
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 99787084
(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone
CID 103474392
2-(7-methoxy-1H-indol-3-yl)cyclopentan-1-amine
CID 54509009

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone (CID 82277622) is cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone is COc1cccc2c(C(=O)C3CCC3)c[nH]c12.
What is the InChIKey of cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone?
The InChIKey is RBWKMKKAMGXLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-12-7-3-6-10-11(8-15-13(10)12)14(16)9-4-2-5-9/h3,6-9,15H,2,4-5H2,1H3.
What are the key properties of cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone?
cyclobutyl-(7-methoxy-1H-indol-3-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-(7-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 82277622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).