3-hydroxy-2-(methyliminomethyl)inden-1-one

C11H9NO2 — CID 135416860

IUPAC3-hydroxy-2-(methyliminomethyl)inden-1-one
SMILESC/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO2/c1-12-6-9-10(13)7-4-2-3-5-8(7)11(9)14/h2-6,13H,1H3/b12-6+
InChIKeyBCXATVHLOPBFLK-WUXMJOGZSA-N
MW187.20 g/mol
LogP1.85
Rot. Bonds1

About 3-hydroxy-2-(methyliminomethyl)inden-1-one

3-hydroxy-2-(methyliminomethyl)inden-1-one (PubChem CID 135416860) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-hydroxy-2-(methyliminomethyl)inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(methyliminomethyl)inden-1-one
PubChem CID135416860
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-hydroxy-2-(methyliminomethyl)inden-1-one
SMILESC/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO2/c1-12-6-9-10(13)7-4-2-3-5-8(7)11(9)14/h2-6,13H,1H3/b12-6+
InChIKeyBCXATVHLOPBFLK-WUXMJOGZSA-N
XLogP1.85
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-(methyliminomethyl)inden-1-one 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 3-hydroxy-2-(methyliminomethyl)inden-1-one?
The IUPAC name of 3-hydroxy-2-(methyliminomethyl)inden-1-one (CID 135416860) is 3-hydroxy-2-(methyliminomethyl)inden-1-one.
What is the SMILES notation for 3-hydroxy-2-(methyliminomethyl)inden-1-one?
The canonical SMILES for 3-hydroxy-2-(methyliminomethyl)inden-1-one is C/N=C/C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 3-hydroxy-2-(methyliminomethyl)inden-1-one?
The InChIKey is BCXATVHLOPBFLK-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H9NO2/c1-12-6-9-10(13)7-4-2-3-5-8(7)11(9)14/h2-6,13H,1H3/b12-6+.
What are the key properties of 3-hydroxy-2-(methyliminomethyl)inden-1-one?
3-hydroxy-2-(methyliminomethyl)inden-1-one has a molecular weight of 187.20 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(methyliminomethyl)inden-1-one is sourced from PubChem (CID 135416860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).