8-amino-7-methoxychromen-4-one

C10H9NO3 — CID 10352531

IUPAC8-amino-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)ccoc2c1N
InChIInChI=1S/C10H9NO3/c1-13-8-3-2-6-7(12)4-5-14-10(6)9(8)11/h2-5H,11H2,1H3
InChIKeyWDQFDVJZDAQVEI-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.38
Rot. Bonds1

About 8-amino-7-methoxychromen-4-one

8-amino-7-methoxychromen-4-one (PubChem CID 10352531) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 8-amino-7-methoxychromen-4-one.

Molecular Properties

Compound Name8-amino-7-methoxychromen-4-one
PubChem CID10352531
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name8-amino-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)ccoc2c1N
InChIInChI=1S/C10H9NO3/c1-13-8-3-2-6-7(12)4-5-14-10(6)9(8)11/h2-5H,11H2,1H3
InChIKeyWDQFDVJZDAQVEI-UHFFFAOYSA-N
XLogP1.38
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-7-methoxychromen-4-one?
The IUPAC name of 8-amino-7-methoxychromen-4-one (CID 10352531) is 8-amino-7-methoxychromen-4-one.
What is the SMILES notation for 8-amino-7-methoxychromen-4-one?
The canonical SMILES for 8-amino-7-methoxychromen-4-one is COc1ccc2c(=O)ccoc2c1N.
What is the InChIKey of 8-amino-7-methoxychromen-4-one?
The InChIKey is WDQFDVJZDAQVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-13-8-3-2-6-7(12)4-5-14-10(6)9(8)11/h2-5H,11H2,1H3.
What are the key properties of 8-amino-7-methoxychromen-4-one?
8-amino-7-methoxychromen-4-one has a molecular weight of 191.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-methoxychromen-4-one is sourced from PubChem (CID 10352531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).