7-amino-3,10-dihydro-2H-acridin-9-one

C13H12N2O — CID 146512479

IUPAC7-amino-3,10-dihydro-2H-acridin-9-one
SMILESNc1ccc2[nH]c3c(c(=O)c2c1)=CCCC=3
InChIInChI=1S/C13H12N2O/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h3-7,15H,1-2,14H2
InChIKeyMJYIHBITPJOQOI-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.47
Rot. Bonds

About 7-amino-3,10-dihydro-2H-acridin-9-one

7-amino-3,10-dihydro-2H-acridin-9-one (PubChem CID 146512479) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 7-amino-3,10-dihydro-2H-acridin-9-one.

Molecular Properties

Compound Name7-amino-3,10-dihydro-2H-acridin-9-one
PubChem CID146512479
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name7-amino-3,10-dihydro-2H-acridin-9-one
SMILESNc1ccc2[nH]c3c(c(=O)c2c1)=CCCC=3
InChIInChI=1S/C13H12N2O/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h3-7,15H,1-2,14H2
InChIKeyMJYIHBITPJOQOI-UHFFFAOYSA-N
XLogP0.47
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.47
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 7-amino-3,10-dihydro-2H-acridin-9-one?
The IUPAC name of 7-amino-3,10-dihydro-2H-acridin-9-one (CID 146512479) is 7-amino-3,10-dihydro-2H-acridin-9-one.
What is the SMILES notation for 7-amino-3,10-dihydro-2H-acridin-9-one?
The canonical SMILES for 7-amino-3,10-dihydro-2H-acridin-9-one is Nc1ccc2[nH]c3c(c(=O)c2c1)=CCCC=3.
What is the InChIKey of 7-amino-3,10-dihydro-2H-acridin-9-one?
The InChIKey is MJYIHBITPJOQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)15-12/h3-7,15H,1-2,14H2.
What are the key properties of 7-amino-3,10-dihydro-2H-acridin-9-one?
7-amino-3,10-dihydro-2H-acridin-9-one has a molecular weight of 212.25 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3,10-dihydro-2H-acridin-9-one is sourced from PubChem (CID 146512479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).