1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one

C17H21NO2 — CID 116546939

IUPAC1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCc1ccc2c(C(=O)CCC3CCCO3)cn(C)c2c1
InChIInChI=1S/C17H21NO2/c1-12-5-7-14-15(11-18(2)16(14)10-12)17(19)8-6-13-4-3-9-20-13/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3
InChIKeyRHRYLSGRVKIUTH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.63
Rot. Bonds4

About 1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one

1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 116546939) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID116546939
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCc1ccc2c(C(=O)CCC3CCCO3)cn(C)c2c1
InChIInChI=1S/C17H21NO2/c1-12-5-7-14-15(11-18(2)16(14)10-12)17(19)8-6-13-4-3-9-20-13/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3
InChIKeyRHRYLSGRVKIUTH-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

3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one
CID 116547086
1-(2-bromo-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976829
2-cyclopropyl-1-(1,6-dimethylindol-3-yl)ethanone
CID 116546935
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 107515192
(2R)-N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 99788812
1-(3-amino-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 116550972
1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 81045032
5-methyl-1-[2-(oxolan-2-yl)ethyl]pyridin-2-one
CID 166647748
1-(2,5-dibromo-4-methylphenyl)-3-(oxan-2-yl)propan-1-one
CID 81473361
1-(2-tert-butylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976956

Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one (CID 116546939) is 1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one is Cc1ccc2c(C(=O)CCC3CCCO3)cn(C)c2c1.
What is the InChIKey of 1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is RHRYLSGRVKIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-5-7-14-15(11-18(2)16(14)10-12)17(19)8-6-13-4-3-9-20-13/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3.
What are the key properties of 1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one?
1-(1,6-dimethylindol-3-yl)-3-(oxolan-2-yl)propan-1-one 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)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 116546939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).