6-aminophenalen-1-one

C13H9NO — CID 587481

IUPAC6-aminophenalen-1-one
SMILESNc1ccc2c3c(cccc13)C(=O)C=C2
InChIInChI=1S/C13H9NO/c14-11-6-4-8-5-7-12(15)10-3-1-2-9(11)13(8)10/h1-7H,14H2
InChIKeyLNWQVXDBQBAGHD-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.63
Rot. Bonds

About 6-aminophenalen-1-one

6-aminophenalen-1-one (PubChem CID 587481) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-aminophenalen-1-one.

Molecular Properties

Compound Name6-aminophenalen-1-one
PubChem CID587481
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name6-aminophenalen-1-one
SMILESNc1ccc2c3c(cccc13)C(=O)C=C2
InChIInChI=1S/C13H9NO/c14-11-6-4-8-5-7-12(15)10-3-1-2-9(11)13(8)10/h1-7H,14H2
InChIKeyLNWQVXDBQBAGHD-UHFFFAOYSA-N
XLogP2.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
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 6-aminophenalen-1-one?
The IUPAC name of 6-aminophenalen-1-one (CID 587481) is 6-aminophenalen-1-one.
What is the SMILES notation for 6-aminophenalen-1-one?
The canonical SMILES for 6-aminophenalen-1-one is Nc1ccc2c3c(cccc13)C(=O)C=C2.
What is the InChIKey of 6-aminophenalen-1-one?
The InChIKey is LNWQVXDBQBAGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c14-11-6-4-8-5-7-12(15)10-3-1-2-9(11)13(8)10/h1-7H,14H2.
What are the key properties of 6-aminophenalen-1-one?
6-aminophenalen-1-one has a molecular weight of 195.22 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminophenalen-1-one is sourced from PubChem (CID 587481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).