1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one

C18H19NO — CID 115107224

IUPAC1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one
SMILESCC(=O)Cc1cccc2c1N(Cc1ccccc1)CC2
InChIInChI=1S/C18H19NO/c1-14(20)12-17-9-5-8-16-10-11-19(18(16)17)13-15-6-3-2-4-7-15/h2-9H,10-13H2,1H3
InChIKeyBAWMEEOUOMOSTH-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.38
Rot. Bonds4

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

1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one (PubChem CID 115107224) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one
PubChem CID115107224
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one
SMILESCC(=O)Cc1cccc2c1N(Cc1ccccc1)CC2
InChIInChI=1S/C18H19NO/c1-14(20)12-17-9-5-8-16-10-11-19(18(16)17)13-15-6-3-2-4-7-15/h2-9H,10-13H2,1H3
InChIKeyBAWMEEOUOMOSTH-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzyl-2,3-dihydroindol-7-yl)ethanone
CID 115107236
3-(1-benzyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid
CID 115107241
1-benzyl-7-methyl-2,3-dihydroindole
CID 11020518
2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid
CID 115105698
1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol
CID 70867642
7-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole
CID 139021244
3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid
CID 115105719
3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid
CID 115105715
methyl 2-[7-[(1-benzyl-3,4-dihydro-2H-quinolin-8-yl)methylamino]oxonin-3-yl]acetate
CID 143684123
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
benzene;1-phenylpropan-2-one
CID 21430852
1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-quinoline-8-carboxylic acid
CID 58307054

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one?
The IUPAC name of 1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one (CID 115107224) is 1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one.
What is the SMILES notation for 1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one?
The canonical SMILES for 1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one is CC(=O)Cc1cccc2c1N(Cc1ccccc1)CC2.
What is the InChIKey of 1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one?
The InChIKey is BAWMEEOUOMOSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14(20)12-17-9-5-8-16-10-11-19(18(16)17)13-15-6-3-2-4-7-15/h2-9H,10-13H2,1H3.
What are the key properties of 1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one?
1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one has a molecular weight of 265.36 g/mol, XLogP of 3.38, 4 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)propan-2-one is sourced from PubChem (CID 115107224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).