9-amino-1H-phenalen-1-ol

C13H11NO — CID 82371874

IUPAC9-amino-1H-phenalen-1-ol
SMILESNc1ccc2cccc3c2c1C(O)C=C3
InChIInChI=1S/C13H11NO/c14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9/h1-7,11,15H,14H2
InChIKeyIURKKPSNBSWXSX-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.48
Rot. Bonds

About 9-amino-1H-phenalen-1-ol

9-amino-1H-phenalen-1-ol (PubChem CID 82371874) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 9-amino-1H-phenalen-1-ol.

Molecular Properties

Compound Name9-amino-1H-phenalen-1-ol
PubChem CID82371874
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name9-amino-1H-phenalen-1-ol
SMILESNc1ccc2cccc3c2c1C(O)C=C3
InChIInChI=1S/C13H11NO/c14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9/h1-7,11,15H,14H2
InChIKeyIURKKPSNBSWXSX-UHFFFAOYSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-amino-1H-phenalen-1-ol?
The IUPAC name of 9-amino-1H-phenalen-1-ol (CID 82371874) is 9-amino-1H-phenalen-1-ol.
What is the SMILES notation for 9-amino-1H-phenalen-1-ol?
The canonical SMILES for 9-amino-1H-phenalen-1-ol is Nc1ccc2cccc3c2c1C(O)C=C3.
What is the InChIKey of 9-amino-1H-phenalen-1-ol?
The InChIKey is IURKKPSNBSWXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9/h1-7,11,15H,14H2.
What are the key properties of 9-amino-1H-phenalen-1-ol?
9-amino-1H-phenalen-1-ol has a molecular weight of 197.24 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-1H-phenalen-1-ol is sourced from PubChem (CID 82371874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).