2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one

C17H19NO2 — CID 135426190

IUPAC2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/C2CCCCCC2)=C(O)c2ccccc21
InChIInChI=1S/C17H19NO2/c19-16-13-9-5-6-10-14(13)17(20)15(16)11-18-12-7-3-1-2-4-8-12/h5-6,9-12,19H,1-4,7-8H2/b18-11+
InChIKeyHDEWJINMOZXYKR-WOJGMQOQSA-N
MW269.34 g/mol
LogP3.95
Rot. Bonds2

About 2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one

2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one (PubChem CID 135426190) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one
PubChem CID135426190
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/C2CCCCCC2)=C(O)c2ccccc21
InChIInChI=1S/C17H19NO2/c19-16-13-9-5-6-10-14(13)17(20)15(16)11-18-12-7-3-1-2-4-8-12/h5-6,9-12,19H,1-4,7-8H2/b18-11+
InChIKeyHDEWJINMOZXYKR-WOJGMQOQSA-N
XLogP3.95
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.95
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 2-(cycloheptyliminomethyl)-3-hydroxyinden-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 2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one?
The IUPAC name of 2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one (CID 135426190) is 2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one.
What is the SMILES notation for 2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one?
The canonical SMILES for 2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one is O=C1C(/C=N/C2CCCCCC2)=C(O)c2ccccc21.
What is the InChIKey of 2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one?
The InChIKey is HDEWJINMOZXYKR-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19NO2/c19-16-13-9-5-6-10-14(13)17(20)15(16)11-18-12-7-3-1-2-4-8-12/h5-6,9-12,19H,1-4,7-8H2/b18-11+.
What are the key properties of 2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one?
2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptyliminomethyl)-3-hydroxyinden-1-one is sourced from PubChem (CID 135426190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).