1-aminobenzo[a]xanthen-12-one

C17H11NO2 — CID 163931413

IUPAC1-aminobenzo[a]xanthen-12-one
SMILESNc1cccc2ccc3oc4ccccc4c(=O)c3c12
InChIInChI=1S/C17H11NO2/c18-12-6-3-4-10-8-9-14-16(15(10)12)17(19)11-5-1-2-7-13(11)20-14/h1-9H,18H2
InChIKeyRIYZASQQHAKCPA-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.68
Rot. Bonds

About 1-aminobenzo[a]xanthen-12-one

1-aminobenzo[a]xanthen-12-one (PubChem CID 163931413) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-aminobenzo[a]xanthen-12-one.

Molecular Properties

Compound Name1-aminobenzo[a]xanthen-12-one
PubChem CID163931413
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name1-aminobenzo[a]xanthen-12-one
SMILESNc1cccc2ccc3oc4ccccc4c(=O)c3c12
InChIInChI=1S/C17H11NO2/c18-12-6-3-4-10-8-9-14-16(15(10)12)17(19)11-5-1-2-7-13(11)20-14/h1-9H,18H2
InChIKeyRIYZASQQHAKCPA-UHFFFAOYSA-N
XLogP3.68
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.68
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-amino-1H-benzo[e][1,3]benzoxazol-2-one
CID 57163944
1-aminooxyxanthen-9-one
CID 163930862
1,11-difluorobenzo[a]xanthen-12-one
CID 135193836
22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 178088617
2-dibenzofuran-1-ylaniline
CID 138698486
9-fluorobenzo[a]xanthen-12-one
CID 135193713
dibenzofuran-1,2-diamine
CID 21425844
1-benzylxanthen-9-one
CID 18759523
propane;xanthen-9-one
CID 90876458
1-(1H-indol-2-yl)xanthen-9-one
CID 134824217
7-aminocyclobuta[b][1]benzofuran-1,2-dione
CID 19417821
1-propan-2-ylsulfanylxanthen-9-one
CID 67242619

Frequently Asked Questions

What is the IUPAC name of 1-aminobenzo[a]xanthen-12-one?
The IUPAC name of 1-aminobenzo[a]xanthen-12-one (CID 163931413) is 1-aminobenzo[a]xanthen-12-one.
What is the SMILES notation for 1-aminobenzo[a]xanthen-12-one?
The canonical SMILES for 1-aminobenzo[a]xanthen-12-one is Nc1cccc2ccc3oc4ccccc4c(=O)c3c12.
What is the InChIKey of 1-aminobenzo[a]xanthen-12-one?
The InChIKey is RIYZASQQHAKCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c18-12-6-3-4-10-8-9-14-16(15(10)12)17(19)11-5-1-2-7-13(11)20-14/h1-9H,18H2.
What are the key properties of 1-aminobenzo[a]xanthen-12-one?
1-aminobenzo[a]xanthen-12-one has a molecular weight of 261.28 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobenzo[a]xanthen-12-one is sourced from PubChem (CID 163931413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).