1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide

C11H13NO3 — CID 69307270

IUPAC1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)COC2CCO
InChIInChI=1S/C11H13NO3/c12-11(14)7-1-2-9-8(5-7)6-15-10(9)3-4-13/h1-2,5,10,13H,3-4,6H2,(H2,12,14)
InChIKeyVVAZSSGRMQEHMI-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.74
Rot. Bonds3

About 1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide

1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 69307270) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID69307270
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)COC2CCO
InChIInChI=1S/C11H13NO3/c12-11(14)7-1-2-9-8(5-7)6-15-10(9)3-4-13/h1-2,5,10,13H,3-4,6H2,(H2,12,14)
InChIKeyVVAZSSGRMQEHMI-UHFFFAOYSA-N
XLogP0.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 69307270) is 1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide is NC(=O)c1ccc2c(c1)COC2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is VVAZSSGRMQEHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-11(14)7-1-2-9-8(5-7)6-15-10(9)3-4-13/h1-2,5,10,13H,3-4,6H2,(H2,12,14).
What are the key properties of 1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 69307270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).