3-anilino-1,3-dimethylindol-2-one

C16H16N2O — CID 71527226

IUPAC3-anilino-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(Nc2ccccc2)c2ccccc21
InChIInChI=1S/C16H16N2O/c1-16(17-12-8-4-3-5-9-12)13-10-6-7-11-14(13)18(2)15(16)19/h3-11,17H,1-2H3
InChIKeyFBFPQEDPZIIJMA-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.99
Rot. Bonds2

About 3-anilino-1,3-dimethylindol-2-one

3-anilino-1,3-dimethylindol-2-one (PubChem CID 71527226) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-anilino-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name3-anilino-1,3-dimethylindol-2-one
PubChem CID71527226
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-anilino-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(Nc2ccccc2)c2ccccc21
InChIInChI=1S/C16H16N2O/c1-16(17-12-8-4-3-5-9-12)13-10-6-7-11-14(13)18(2)15(16)19/h3-11,17H,1-2H3
InChIKeyFBFPQEDPZIIJMA-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
9,9,10-trimethylacridine
CID 610451
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one
CID 139037177
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
(3S)-3-anilino-5-bromo-1-methyl-3-phenylindol-2-one
CID 135032610
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1,3-dimethylindol-2-one?
The IUPAC name of 3-anilino-1,3-dimethylindol-2-one (CID 71527226) is 3-anilino-1,3-dimethylindol-2-one.
What is the SMILES notation for 3-anilino-1,3-dimethylindol-2-one?
The canonical SMILES for 3-anilino-1,3-dimethylindol-2-one is CN1C(=O)C(C)(Nc2ccccc2)c2ccccc21.
What is the InChIKey of 3-anilino-1,3-dimethylindol-2-one?
The InChIKey is FBFPQEDPZIIJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-16(17-12-8-4-3-5-9-12)13-10-6-7-11-14(13)18(2)15(16)19/h3-11,17H,1-2H3.
What are the key properties of 3-anilino-1,3-dimethylindol-2-one?
3-anilino-1,3-dimethylindol-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1,3-dimethylindol-2-one is sourced from PubChem (CID 71527226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).