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

C16H15NO2 — CID 134908410

IUPAC1-benzyl-3-methoxy-3H-indol-2-one
SMILESCOC1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C16H15NO2/c1-19-15-13-9-5-6-10-14(13)17(16(15)18)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
InChIKeyYTMGLDOEONCNHK-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.92
Rot. Bonds3

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

1-benzyl-3-methoxy-3H-indol-2-one (PubChem CID 134908410) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-benzyl-3-methoxy-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-methoxy-3H-indol-2-one
PubChem CID134908410
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-benzyl-3-methoxy-3H-indol-2-one
SMILESCOC1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C16H15NO2/c1-19-15-13-9-5-6-10-14(13)17(16(15)18)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
InChIKeyYTMGLDOEONCNHK-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-butyl-3H-indol-2-one
CID 134908411
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
1-benzyl-3-(2-oxobutyl)-3H-indol-2-one
CID 53381662
3-benzyl-1-[(4-tert-butylphenyl)methyl]-3H-indol-2-one
CID 102435409
(1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate
CID 2768617
3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
CID 43254974
1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one
CID 71728903
1-benzyl-4-hydroxy-3-methoxy-4-phenyl-3H-quinolin-2-one
CID 142438041
1-benzyl-5-phenyl-3-propyl-5H-4,1-benzoxazepin-2-one
CID 56980414
1-benzyl-3-[N-[bis(dimethylamino)phosphoryl]-4-methoxyanilino]-3H-indol-2-one
CID 73334570
(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
CID 71351349
(7R)-7-amino-5-[(4-methoxyphenyl)methyl]-7H-benzo[d][1]benzazepin-6-one
CID 69040290

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methoxy-3H-indol-2-one?
The IUPAC name of 1-benzyl-3-methoxy-3H-indol-2-one (CID 134908410) is 1-benzyl-3-methoxy-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-3-methoxy-3H-indol-2-one?
The canonical SMILES for 1-benzyl-3-methoxy-3H-indol-2-one is COC1C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-3-methoxy-3H-indol-2-one?
The InChIKey is YTMGLDOEONCNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-15-13-9-5-6-10-14(13)17(16(15)18)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3.
What are the key properties of 1-benzyl-3-methoxy-3H-indol-2-one?
1-benzyl-3-methoxy-3H-indol-2-one has a molecular weight of 253.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methoxy-3H-indol-2-one is sourced from PubChem (CID 134908410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).