1-benzyl-7-methyl-3H-indol-2-one

C16H15NO — CID 100995763

IUPAC1-benzyl-7-methyl-3H-indol-2-one
SMILESCc1cccc2c1N(Cc1ccccc1)C(=O)C2
InChIInChI=1S/C16H15NO/c1-12-6-5-9-14-10-15(18)17(16(12)14)11-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKeyKGFOIYLQRGCGBM-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.08
Rot. Bonds2

About 1-benzyl-7-methyl-3H-indol-2-one

1-benzyl-7-methyl-3H-indol-2-one (PubChem CID 100995763) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-benzyl-7-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-7-methyl-3H-indol-2-one
PubChem CID100995763
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-benzyl-7-methyl-3H-indol-2-one
SMILESCc1cccc2c1N(Cc1ccccc1)C(=O)C2
InChIInChI=1S/C16H15NO/c1-12-6-5-9-14-10-15(18)17(16(12)14)11-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3
InChIKeyKGFOIYLQRGCGBM-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one
CID 102315003
7-methyl-1-(2-methylpropyl)-3H-indol-2-one
CID 91178999
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one
CID 126572991
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
1-benzyl-2-methylpyrimidine-4,6-dione
CID 58806166
1-benzyl-7-methyl-2,3-dihydroindole
CID 11020518
1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione
CID 68636226
1-(2,6-dimethylphenyl)-3H-indol-2-one
CID 82044310
2-(aminomethyl)-6-benzyl-5-methyl-3,8-dihydro-2H-furo[2,3-e]indol-7-one;hydrochloride
CID 22355469
1-benzyl-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid
CID 23008694
1-(2-chloro-6-methylphenyl)-3H-indol-2-one
CID 70610561

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-methyl-3H-indol-2-one?
The IUPAC name of 1-benzyl-7-methyl-3H-indol-2-one (CID 100995763) is 1-benzyl-7-methyl-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-7-methyl-3H-indol-2-one?
The canonical SMILES for 1-benzyl-7-methyl-3H-indol-2-one is Cc1cccc2c1N(Cc1ccccc1)C(=O)C2.
What is the InChIKey of 1-benzyl-7-methyl-3H-indol-2-one?
The InChIKey is KGFOIYLQRGCGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-6-5-9-14-10-15(18)17(16(12)14)11-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-benzyl-7-methyl-3H-indol-2-one?
1-benzyl-7-methyl-3H-indol-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-methyl-3H-indol-2-one is sourced from PubChem (CID 100995763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).