3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one

C20H21NO3 — CID 139255181

IUPAC3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one
SMILESC=CCC1(c2ccc(OC)cc2OC)C(=O)N(C)c2ccccc21
InChIInChI=1S/C20H21NO3/c1-5-12-20(16-11-10-14(23-3)13-18(16)24-4)15-8-6-7-9-17(15)21(2)19(20)22/h5-11,13H,1,12H2,2-4H3
InChIKeyRLBXEPIBIGCKNA-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.54
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one

3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one (PubChem CID 139255181) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one
PubChem CID139255181
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one
SMILESC=CCC1(c2ccc(OC)cc2OC)C(=O)N(C)c2ccccc21
InChIInChI=1S/C20H21NO3/c1-5-12-20(16-11-10-14(23-3)13-18(16)24-4)15-8-6-7-9-17(15)21(2)19(20)22/h5-11,13H,1,12H2,2-4H3
InChIKeyRLBXEPIBIGCKNA-UHFFFAOYSA-N
XLogP3.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one (CID 139255181) is 3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one is C=CCC1(c2ccc(OC)cc2OC)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one?
The InChIKey is RLBXEPIBIGCKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-5-12-20(16-11-10-14(23-3)13-18(16)24-4)15-8-6-7-9-17(15)21(2)19(20)22/h5-11,13H,1,12H2,2-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one?
3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-methyl-3-prop-2-enylindol-2-one is sourced from PubChem (CID 139255181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).