3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one

C19H19NO2 — CID 166807949

IUPAC3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one
SMILESC=C(C)CC1(c2ccccc2OC)C(=O)Nc2ccccc21
InChIInChI=1S/C19H19NO2/c1-13(2)12-19(15-9-5-7-11-17(15)22-3)14-8-4-6-10-16(14)20-18(19)21/h4-11H,1,12H2,2-3H3,(H,20,21)
InChIKeyVCJSNUDAXINBMW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.90
Rot. Bonds4

About 3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one

3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one (PubChem CID 166807949) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one
PubChem CID166807949
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one
SMILESC=C(C)CC1(c2ccccc2OC)C(=O)Nc2ccccc21
InChIInChI=1S/C19H19NO2/c1-13(2)12-19(15-9-5-7-11-17(15)22-3)14-8-4-6-10-16(14)20-18(19)21/h4-11H,1,12H2,2-3H3,(H,20,21)
InChIKeyVCJSNUDAXINBMW-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-3-(2-methoxyphenyl)-1H-indol-2-one
CID 7333204
3-(4-methoxyanilino)-3-(2-methylprop-2-enyl)-1H-indol-2-one
CID 46845599
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
methyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 19848647
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 110405753
5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]-1H-indol-2-one
CID 67427811
5-chloro-3-(2-methoxyphenyl)-3-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1H-indol-2-one
CID 67430051
3,3-dimethoxy-1H-indol-2-one;ethane
CID 54484011
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
4-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]-3-(2-methoxyphenyl)-2H-oxadiazol-3-ium-5-one
CID 10714840
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1H-indol-2-one
CID 46948223
1'-hydroxy-3'-methoxy-2'-methylspiro[1H-indole-3,9'-fluorene]-2-one
CID 132600722

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one?
The IUPAC name of 3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one (CID 166807949) is 3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one?
The canonical SMILES for 3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one is C=C(C)CC1(c2ccccc2OC)C(=O)Nc2ccccc21.
What is the InChIKey of 3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one?
The InChIKey is VCJSNUDAXINBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13(2)12-19(15-9-5-7-11-17(15)22-3)14-8-4-6-10-16(14)20-18(19)21/h4-11H,1,12H2,2-3H3,(H,20,21).
What are the key properties of 3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one?
3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-3-(2-methylprop-2-enyl)-1H-indol-2-one is sourced from PubChem (CID 166807949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).