1-oxo-3,4-dihydroisochromene-5-carboxamide

C10H9NO3 — CID 118726454

IUPAC1-oxo-3,4-dihydroisochromene-5-carboxamide
SMILESNC(=O)c1cccc2c1CCOC2=O
InChIInChI=1S/C10H9NO3/c11-9(12)7-2-1-3-8-6(7)4-5-14-10(8)13/h1-3H,4-5H2,(H2,11,12)
InChIKeyLVPNYSDCGMOZHS-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.50
Rot. Bonds1

About 1-oxo-3,4-dihydroisochromene-5-carboxamide

1-oxo-3,4-dihydroisochromene-5-carboxamide (PubChem CID 118726454) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-oxo-3,4-dihydroisochromene-5-carboxamide.

Molecular Properties

Compound Name1-oxo-3,4-dihydroisochromene-5-carboxamide
PubChem CID118726454
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-oxo-3,4-dihydroisochromene-5-carboxamide
SMILESNC(=O)c1cccc2c1CCOC2=O
InChIInChI=1S/C10H9NO3/c11-9(12)7-2-1-3-8-6(7)4-5-14-10(8)13/h1-3H,4-5H2,(H2,11,12)
InChIKeyLVPNYSDCGMOZHS-UHFFFAOYSA-N
XLogP0.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-oxo-3,4-dihydroisochromene-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-oxo-3,4-dihydroisochromene-5-carboxamide?
The IUPAC name of 1-oxo-3,4-dihydroisochromene-5-carboxamide (CID 118726454) is 1-oxo-3,4-dihydroisochromene-5-carboxamide.
What is the SMILES notation for 1-oxo-3,4-dihydroisochromene-5-carboxamide?
The canonical SMILES for 1-oxo-3,4-dihydroisochromene-5-carboxamide is NC(=O)c1cccc2c1CCOC2=O.
What is the InChIKey of 1-oxo-3,4-dihydroisochromene-5-carboxamide?
The InChIKey is LVPNYSDCGMOZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c11-9(12)7-2-1-3-8-6(7)4-5-14-10(8)13/h1-3H,4-5H2,(H2,11,12).
What are the key properties of 1-oxo-3,4-dihydroisochromene-5-carboxamide?
1-oxo-3,4-dihydroisochromene-5-carboxamide has a molecular weight of 191.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3,4-dihydroisochromene-5-carboxamide is sourced from PubChem (CID 118726454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).