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

C16H15NO — CID 11207126

IUPAC3-benzyl-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C16H15NO/c1-17-15-10-6-5-9-13(15)14(16(17)18)11-12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChIKeyOKROJFPCIXFCCG-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.99
Rot. Bonds2

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

3-benzyl-1-methyl-3H-indol-2-one (PubChem CID 11207126) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-benzyl-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-benzyl-1-methyl-3H-indol-2-one
PubChem CID11207126
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-benzyl-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C16H15NO/c1-17-15-10-6-5-9-13(15)14(16(17)18)11-12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChIKeyOKROJFPCIXFCCG-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
3-benzyl-5-chloro-1-methyl-3H-indol-2-one
CID 11043888
3-(1-methyl-2-oxo-3H-indol-3-yl)propanoic acid
CID 14956191
3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one
CID 102325825
3-(2-aminoethyl)-1-methyl-3H-indol-2-one
CID 3486621
(3S)-3-benzyl-1-phenyl-3H-indol-2-one
CID 26367892
(3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one
CID 26342865
2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium
CID 6954862
1-methyl-3-prop-2-ynyl-3H-indol-2-one
CID 141131768
3-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 53044238
methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate
CID 14956192
3-benzyl-1-[(4-tert-butylphenyl)methyl]-3H-indol-2-one
CID 102435409

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-3H-indol-2-one?
The IUPAC name of 3-benzyl-1-methyl-3H-indol-2-one (CID 11207126) is 3-benzyl-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-benzyl-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-benzyl-1-methyl-3H-indol-2-one is CN1C(=O)C(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 3-benzyl-1-methyl-3H-indol-2-one?
The InChIKey is OKROJFPCIXFCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-17-15-10-6-5-9-13(15)14(16(17)18)11-12-7-3-2-4-8-12/h2-10,14H,11H2,1H3.
What are the key properties of 3-benzyl-1-methyl-3H-indol-2-one?
3-benzyl-1-methyl-3H-indol-2-one has a molecular weight of 237.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-3H-indol-2-one is sourced from PubChem (CID 11207126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).