2,2-dimethyl-3H-1-benzofuran-4-carboxamide

C11H13NO2 — CID 86668248

IUPAC2,2-dimethyl-3H-1-benzofuran-4-carboxamide
SMILESCC1(C)Cc2c(cccc2C(N)=O)O1
InChIInChI=1S/C11H13NO2/c1-11(2)6-8-7(10(12)13)4-3-5-9(8)14-11/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyWUJHRGLXMWXLIQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.50
Rot. Bonds1

About 2,2-dimethyl-3H-1-benzofuran-4-carboxamide

2,2-dimethyl-3H-1-benzofuran-4-carboxamide (PubChem CID 86668248) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,2-dimethyl-3H-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3H-1-benzofuran-4-carboxamide
PubChem CID86668248
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2,2-dimethyl-3H-1-benzofuran-4-carboxamide
SMILESCC1(C)Cc2c(cccc2C(N)=O)O1
InChIInChI=1S/C11H13NO2/c1-11(2)6-8-7(10(12)13)4-3-5-9(8)14-11/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyWUJHRGLXMWXLIQ-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-1-benzofuran-4-carboxamide?
The IUPAC name of 2,2-dimethyl-3H-1-benzofuran-4-carboxamide (CID 86668248) is 2,2-dimethyl-3H-1-benzofuran-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3H-1-benzofuran-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-3H-1-benzofuran-4-carboxamide is CC1(C)Cc2c(cccc2C(N)=O)O1.
What is the InChIKey of 2,2-dimethyl-3H-1-benzofuran-4-carboxamide?
The InChIKey is WUJHRGLXMWXLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2)6-8-7(10(12)13)4-3-5-9(8)14-11/h3-5H,6H2,1-2H3,(H2,12,13).
What are the key properties of 2,2-dimethyl-3H-1-benzofuran-4-carboxamide?
2,2-dimethyl-3H-1-benzofuran-4-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-1-benzofuran-4-carboxamide is sourced from PubChem (CID 86668248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).