1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone

C17H21NO2 — CID 103556035

IUPAC1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)c2cn(C)c3cc(C)ccc23)CCC1
InChIInChI=1S/C17H21NO2/c1-12-5-6-13-14(11-18(2)15(13)9-12)16(19)10-17(20-3)7-4-8-17/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeyFEDJDKJYMXQQTB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.63
Rot. Bonds4

About 1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone

1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103556035) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103556035
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)c2cn(C)c3cc(C)ccc23)CCC1
InChIInChI=1S/C17H21NO2/c1-12-5-6-13-14(11-18(2)15(13)9-12)16(19)10-17(20-3)7-4-8-17/h5-6,9,11H,4,7-8,10H2,1-3H3
InChIKeyFEDJDKJYMXQQTB-UHFFFAOYSA-N
XLogP3.63
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Xlr 11
CID 57501498
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
(1-((Tetrahydro-2H-pyran-4-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11544639
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
1-Methyl-1H-indole-3-carbaldehyde
CID 87894
Jwh-167
CID 44397502
UR-144 N-5-hydroxypentyl
CID 11515395
1-(4-methylbenzyl)-1H-indole-3-carbaldehyde
CID 775565
6-methyl-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11559434
1-(oxan-4-ylmethyl)-6-phenyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 24768512
2-(4-Methylphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397464
2-(2-fluorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397516

Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone (CID 103556035) is 1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)c2cn(C)c3cc(C)ccc23)CCC1.
What is the InChIKey of 1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is FEDJDKJYMXQQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-5-6-13-14(11-18(2)15(13)9-12)16(19)10-17(20-3)7-4-8-17/h5-6,9,11H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone?
1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethylindol-3-yl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103556035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).