2-aminophenalen-1-one

C13H9NO — CID 13013288

IUPAC2-aminophenalen-1-one
SMILESNC1=Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C13H9NO/c14-11-7-9-5-1-3-8-4-2-6-10(12(8)9)13(11)15/h1-7H,14H2
InChIKeyIHVMVTBHISOISX-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.34
Rot. Bonds

About 2-aminophenalen-1-one

2-aminophenalen-1-one (PubChem CID 13013288) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-aminophenalen-1-one.

Molecular Properties

Compound Name2-aminophenalen-1-one
PubChem CID13013288
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name2-aminophenalen-1-one
SMILESNC1=Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C13H9NO/c14-11-7-9-5-1-3-8-4-2-6-10(12(8)9)13(11)15/h1-7H,14H2
InChIKeyIHVMVTBHISOISX-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-aminophenalen-1-one?
The IUPAC name of 2-aminophenalen-1-one (CID 13013288) is 2-aminophenalen-1-one.
What is the SMILES notation for 2-aminophenalen-1-one?
The canonical SMILES for 2-aminophenalen-1-one is NC1=Cc2cccc3cccc(c23)C1=O.
What is the InChIKey of 2-aminophenalen-1-one?
The InChIKey is IHVMVTBHISOISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c14-11-7-9-5-1-3-8-4-2-6-10(12(8)9)13(11)15/h1-7H,14H2.
What are the key properties of 2-aminophenalen-1-one?
2-aminophenalen-1-one has a molecular weight of 195.22 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminophenalen-1-one is sourced from PubChem (CID 13013288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).