7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole

C23H25NO3 — CID 71554723

IUPAC7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole
SMILESCOc1cc(C(=C2CCC2)c2cccc3ccn(C)c23)cc(OC)c1OC
InChIInChI=1S/C23H25NO3/c1-24-12-11-16-9-6-10-18(22(16)24)21(15-7-5-8-15)17-13-19(25-2)23(27-4)20(14-17)26-3/h6,9-14H,5,7-8H2,1-4H3
InChIKeyALALVTXKBXYJSF-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.19
Rot. Bonds5

About 7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole

7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole (PubChem CID 71554723) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole.

Molecular Properties

Compound Name7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole
PubChem CID71554723
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole
SMILESCOc1cc(C(=C2CCC2)c2cccc3ccn(C)c23)cc(OC)c1OC
InChIInChI=1S/C23H25NO3/c1-24-12-11-16-9-6-10-18(22(16)24)21(15-7-5-8-15)17-13-19(25-2)23(27-4)20(14-17)26-3/h6,9-14H,5,7-8H2,1-4H3
InChIKeyALALVTXKBXYJSF-UHFFFAOYSA-N
XLogP5.19
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole?
The IUPAC name of 7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole (CID 71554723) is 7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole.
What is the SMILES notation for 7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole?
The canonical SMILES for 7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole is COc1cc(C(=C2CCC2)c2cccc3ccn(C)c23)cc(OC)c1OC.
What is the InChIKey of 7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole?
The InChIKey is ALALVTXKBXYJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-24-12-11-16-9-6-10-18(22(16)24)21(15-7-5-8-15)17-13-19(25-2)23(27-4)20(14-17)26-3/h6,9-14H,5,7-8H2,1-4H3.
What are the key properties of 7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole?
7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole has a molecular weight of 363.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole is sourced from PubChem (CID 71554723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).