1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone

C17H17NO — CID 115107236

IUPAC1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone
SMILESCC(=O)c1cccc2c1N(Cc1ccccc1)CC2
InChIInChI=1S/C17H17NO/c1-13(19)16-9-5-8-15-10-11-18(17(15)16)12-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3
InChIKeyYDOAOEODMDIVKZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.45
Rot. Bonds3

About 1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone

1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone (PubChem CID 115107236) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone
PubChem CID115107236
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone
SMILESCC(=O)c1cccc2c1N(Cc1ccccc1)CC2
InChIInChI=1S/C17H17NO/c1-13(19)16-9-5-8-15-10-11-18(17(15)16)12-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3
InChIKeyYDOAOEODMDIVKZ-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one
CID 115107224
1-benzyl-7-methyl-2,3-dihydroindole
CID 11020518
1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-7-yl]ethanone
CID 115105692
3-(1-benzyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid
CID 115107241
1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinoline-8-carboxylic acid
CID 58307054
4-[[[1-[(4-chlorophenyl)methyl]-2,3-dihydroindole-7-carbonyl]amino]methyl]benzoic acid
CID 143593194
1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol
CID 70867642
3-benzyl-4,5-dihydro-1H-1,3-benzodiazepin-2-one
CID 91757247
4-[1-[[1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-7-carbonyl]amino]ethyl]benzoic acid
CID 70903595
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
2-(2,3-dihydroindol-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8704361
7-acetyl-2-benzyl-8-hydroxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;ethane
CID 90901471

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone?
The IUPAC name of 1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone (CID 115107236) is 1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone is CC(=O)c1cccc2c1N(Cc1ccccc1)CC2.
What is the InChIKey of 1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone?
The InChIKey is YDOAOEODMDIVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13(19)16-9-5-8-15-10-11-18(17(15)16)12-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3.
What are the key properties of 1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone?
1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone is sourced from PubChem (CID 115107236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).