CID 59303592

C9H9NO2 — CID 59303592

IUPAC—
SMILES[CH]C(=O)c1ccc(=O)n(CC)c1
InChIInChI=1S/C9H9NO2/c1-3-10-6-8(7(2)11)4-5-9(10)12/h2,4-6H,3H2,1H3
InChIKeyFNGBKMZRZOZDOQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.76
Rot. Bonds2

About CID 59303592

CID 59303592 (PubChem CID 59303592) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol.

Molecular Properties

Compound NameCID 59303592
PubChem CID59303592
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name—
SMILES[CH]C(=O)c1ccc(=O)n(CC)c1
InChIInChI=1S/C9H9NO2/c1-3-10-6-8(7(2)11)4-5-9(10)12/h2,4-6H,3H2,1H3
InChIKeyFNGBKMZRZOZDOQ-UHFFFAOYSA-N
XLogP0.76
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 59303592 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 CID 59303592?
The IUPAC name of CID 59303592 (CID 59303592) is not available.
What is the SMILES notation for CID 59303592?
The canonical SMILES for CID 59303592 is [CH]C(=O)c1ccc(=O)n(CC)c1.
What is the InChIKey of CID 59303592?
The InChIKey is FNGBKMZRZOZDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-3-10-6-8(7(2)11)4-5-9(10)12/h2,4-6H,3H2,1H3.
What are the key properties of CID 59303592?
CID 59303592 has a molecular weight of 163.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303592 is sourced from PubChem (CID 59303592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).