8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one

C10H11NO4 — CID 90431979

IUPAC8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one
SMILESCOc1ccc2c(c1ON)COC(=O)C2
InChIInChI=1S/C10H11NO4/c1-13-8-3-2-6-4-9(12)14-5-7(6)10(8)15-11/h2-3H,4-5,11H2,1H3
InChIKeyFOSQRKKQRGLNMU-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.55
Rot. Bonds2

About 8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one

8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one (PubChem CID 90431979) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one.

Molecular Properties

Compound Name8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one
PubChem CID90431979
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one
SMILESCOc1ccc2c(c1ON)COC(=O)C2
InChIInChI=1S/C10H11NO4/c1-13-8-3-2-6-4-9(12)14-5-7(6)10(8)15-11/h2-3H,4-5,11H2,1H3
InChIKeyFOSQRKKQRGLNMU-UHFFFAOYSA-N
XLogP0.55
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-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

8-[dihydroxy(phenyl)-λ4-sulfanyl]oxy-7-methoxy-1,4-dihydroisochromen-3-one
CID 123361967
7-[1-(dimethylamino)ethoxy]-8-methoxy-1,4-dihydroisochromen-3-one
CID 141340282
7-(deuteriomethoxy)-8-phenylmethoxy-1,4-dihydroisochromen-3-one
CID 175811717
4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 4140999
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione
CID 4309557
7,8-dimethoxy-1H-isochromen-4-one
CID 174773303
6,7-dimethoxy-2,3-dihydroinden-1-one
CID 15292475
7,8-dimethoxy-11-methyl-17,19-dioxa-11-azoniatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one chloride
CID 43834458
2,3-dimethoxybicyclo[4.1.0]hepta-1(6),2,4-trien-7-one
CID 174869830
(6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one
CID 155806484
6-methoxyphenalene-1,3-dione
CID 22763709

Frequently Asked Questions

What is the IUPAC name of 8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one?
The IUPAC name of 8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one (CID 90431979) is 8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one.
What is the SMILES notation for 8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one?
The canonical SMILES for 8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one is COc1ccc2c(c1ON)COC(=O)C2.
What is the InChIKey of 8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one?
The InChIKey is FOSQRKKQRGLNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-13-8-3-2-6-4-9(12)14-5-7(6)10(8)15-11/h2-3H,4-5,11H2,1H3.
What are the key properties of 8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one?
8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one has a molecular weight of 209.20 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminooxy-7-methoxy-1,4-dihydroisochromen-3-one is sourced from PubChem (CID 90431979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).