3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one

C20H19NO2 — CID 43912433

IUPAC3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCc1c(CC2C(=O)N(C)c3ccccc32)oc2c(C)cccc12
InChIInChI=1S/C20H19NO2/c1-12-7-6-9-14-13(2)18(23-19(12)14)11-16-15-8-4-5-10-17(15)21(3)20(16)22/h4-10,16H,11H2,1-3H3
InChIKeyDHJXYFGWKHKJPY-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.35
Rot. Bonds2

About 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one

3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 43912433) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
PubChem CID43912433
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCc1c(CC2C(=O)N(C)c3ccccc32)oc2c(C)cccc12
InChIInChI=1S/C20H19NO2/c1-12-7-6-9-14-13(2)18(23-19(12)14)11-16-15-8-4-5-10-17(15)21(3)20(16)22/h4-10,16H,11H2,1-3H3
InChIKeyDHJXYFGWKHKJPY-UHFFFAOYSA-N
XLogP4.35
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one (CID 43912433) is 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one is Cc1c(CC2C(=O)N(C)c3ccccc32)oc2c(C)cccc12.
What is the InChIKey of 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is DHJXYFGWKHKJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-12-7-6-9-14-13(2)18(23-19(12)14)11-16-15-8-4-5-10-17(15)21(3)20(16)22/h4-10,16H,11H2,1-3H3.
What are the key properties of 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 305.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43912433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).