3-amino-6-hydroxy-2,3-dihydrochromen-4-one

C9H9NO3 — CID 155195436

IUPAC3-amino-6-hydroxy-2,3-dihydrochromen-4-one
SMILESNC1COc2ccc(O)cc2C1=O
InChIInChI=1S/C9H9NO3/c10-7-4-13-8-2-1-5(11)3-6(8)9(7)12/h1-3,7,11H,4,10H2
InChIKeyJQXPJCIFQURRCH-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.29
Rot. Bonds

About 3-amino-6-hydroxy-2,3-dihydrochromen-4-one

3-amino-6-hydroxy-2,3-dihydrochromen-4-one (PubChem CID 155195436) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-amino-6-hydroxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-amino-6-hydroxy-2,3-dihydrochromen-4-one
PubChem CID155195436
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name3-amino-6-hydroxy-2,3-dihydrochromen-4-one
SMILESNC1COc2ccc(O)cc2C1=O
InChIInChI=1S/C9H9NO3/c10-7-4-13-8-2-1-5(11)3-6(8)9(7)12/h1-3,7,11H,4,10H2
InChIKeyJQXPJCIFQURRCH-UHFFFAOYSA-N
XLogP0.29
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-6-hydroxy-2,3-dihydrochromen-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-hydroxy-2,3-dihydrochromen-4-one?
The IUPAC name of 3-amino-6-hydroxy-2,3-dihydrochromen-4-one (CID 155195436) is 3-amino-6-hydroxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-amino-6-hydroxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-amino-6-hydroxy-2,3-dihydrochromen-4-one is NC1COc2ccc(O)cc2C1=O.
What is the InChIKey of 3-amino-6-hydroxy-2,3-dihydrochromen-4-one?
The InChIKey is JQXPJCIFQURRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c10-7-4-13-8-2-1-5(11)3-6(8)9(7)12/h1-3,7,11H,4,10H2.
What are the key properties of 3-amino-6-hydroxy-2,3-dihydrochromen-4-one?
3-amino-6-hydroxy-2,3-dihydrochromen-4-one has a molecular weight of 179.18 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-hydroxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 155195436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).