6-amino-3-hydroxychromen-4-one

C9H7NO3 — CID 142653989

IUPAC6-amino-3-hydroxychromen-4-one
SMILESNc1ccc2occ(O)c(=O)c2c1
InChIInChI=1S/C9H7NO3/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-4,11H,10H2
InChIKeyUSZSKDRXXBJPJQ-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.08
Rot. Bonds

About 6-amino-3-hydroxychromen-4-one

6-amino-3-hydroxychromen-4-one (PubChem CID 142653989) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-amino-3-hydroxychromen-4-one.

Molecular Properties

Compound Name6-amino-3-hydroxychromen-4-one
PubChem CID142653989
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name6-amino-3-hydroxychromen-4-one
SMILESNc1ccc2occ(O)c(=O)c2c1
InChIInChI=1S/C9H7NO3/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-4,11H,10H2
InChIKeyUSZSKDRXXBJPJQ-UHFFFAOYSA-N
XLogP1.08
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.08
H-Bond Donors ≤ 52
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 6-amino-3-hydroxychromen-4-one?
The IUPAC name of 6-amino-3-hydroxychromen-4-one (CID 142653989) is 6-amino-3-hydroxychromen-4-one.
What is the SMILES notation for 6-amino-3-hydroxychromen-4-one?
The canonical SMILES for 6-amino-3-hydroxychromen-4-one is Nc1ccc2occ(O)c(=O)c2c1.
What is the InChIKey of 6-amino-3-hydroxychromen-4-one?
The InChIKey is USZSKDRXXBJPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-4,11H,10H2.
What are the key properties of 6-amino-3-hydroxychromen-4-one?
6-amino-3-hydroxychromen-4-one has a molecular weight of 177.16 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-hydroxychromen-4-one is sourced from PubChem (CID 142653989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).