3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one

C18H19NO — CID 62613248

IUPAC3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
SMILESCC1Cc2ccccc2N1CCC(=O)c1ccccc1
InChIInChI=1S/C18H19NO/c1-14-13-16-9-5-6-10-17(16)19(14)12-11-18(20)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
InChIKeyZTQLVXFPVMDGIQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.71
Rot. Bonds4

About 3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one

3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one (PubChem CID 62613248) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
PubChem CID62613248
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
SMILESCC1Cc2ccccc2N1CCC(=O)c1ccccc1
InChIInChI=1S/C18H19NO/c1-14-13-16-9-5-6-10-17(16)19(14)12-11-18(20)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3
InChIKeyZTQLVXFPVMDGIQ-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 160947916
N-cycloheptyl-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109031533
N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide
CID 94824067
1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109017603
N-(4-ethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109036323
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 110917258
1-[2-(1,3-dioxan-2-yl)ethyl]-2-methyl-2,3-dihydroindole
CID 66473506
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid
CID 20991558
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one (CID 62613248) is 3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one is CC1Cc2ccccc2N1CCC(=O)c1ccccc1.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one?
The InChIKey is ZTQLVXFPVMDGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-13-16-9-5-6-10-17(16)19(14)12-11-18(20)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3.
What are the key properties of 3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one?
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one has a molecular weight of 265.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 62613248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).