1-aminoxanthen-9-one

C13H9NO2 — CID 14920116

IUPAC1-aminoxanthen-9-one
SMILESNc1cccc2oc3ccccc3c(=O)c12
InChIInChI=1S/C13H9NO2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7H,14H2
InChIKeyTYVCGEVIYKZPEU-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.53
Rot. Bonds

About 1-aminoxanthen-9-one

1-aminoxanthen-9-one (PubChem CID 14920116) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-aminoxanthen-9-one.

Molecular Properties

Compound Name1-aminoxanthen-9-one
PubChem CID14920116
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name1-aminoxanthen-9-one
SMILESNc1cccc2oc3ccccc3c(=O)c12
InChIInChI=1S/C13H9NO2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7H,14H2
InChIKeyTYVCGEVIYKZPEU-UHFFFAOYSA-N
XLogP2.53
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-aminoxanthen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one
CID 389710
(7-Amino-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)(phenyl)methanone
CID 769176
2,7-diamino-9H-xanthen-9-one
CID 2770072
1-Methoxy-10-methyl-acridin-9-one
CID 468117
6-Aminoflavone
CID 16217320
5-amino-8-methoxy-2,3-dihydro-4H-chromen-4-one
CID 4228364
5-Amino-2-(4-aminophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 9817398
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10267124
5-Amino-2-[4-(methylamino)phenyl]chromen-4-one
CID 10333138
5-Amino-2-(4-aminophenyl)chromen-4-one
CID 10422310
5-Amino-2-(4-bromophenyl)chromen-4-one
CID 10495586
5-Amino-2-(4-amino-3-fluorophenyl)-7-azido-6,8-difluorochromen-4-one
CID 10497825

Frequently Asked Questions

What is the IUPAC name of 1-aminoxanthen-9-one?
The IUPAC name of 1-aminoxanthen-9-one (CID 14920116) is 1-aminoxanthen-9-one.
What is the SMILES notation for 1-aminoxanthen-9-one?
The canonical SMILES for 1-aminoxanthen-9-one is Nc1cccc2oc3ccccc3c(=O)c12.
What is the InChIKey of 1-aminoxanthen-9-one?
The InChIKey is TYVCGEVIYKZPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7H,14H2.
What are the key properties of 1-aminoxanthen-9-one?
1-aminoxanthen-9-one has a molecular weight of 211.22 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoxanthen-9-one is sourced from PubChem (CID 14920116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).