4-amino-7-hydroxychromen-2-one

C9H7NO3 — CID 5403605

IUPAC4-amino-7-hydroxychromen-2-one
SMILESNc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C9H7NO3/c10-7-4-9(12)13-8-3-5(11)1-2-6(7)8/h1-4,11H,10H2
InChIKeyIDCAVENVBSHPOH-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.08
Rot. Bonds

About 4-amino-7-hydroxychromen-2-one

4-amino-7-hydroxychromen-2-one (PubChem CID 5403605) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-amino-7-hydroxychromen-2-one.

Molecular Properties

Compound Name4-amino-7-hydroxychromen-2-one
PubChem CID5403605
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name4-amino-7-hydroxychromen-2-one
SMILESNc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C9H7NO3/c10-7-4-9(12)13-8-3-5(11)1-2-6(7)8/h1-4,11H,10H2
InChIKeyIDCAVENVBSHPOH-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': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
3-amino-4,7-dihydroxychromen-2-one
CID 54691343
7-hydroxy-4-methylchromen-2-one;sulfuric acid
CID 87147508
7-hydroxy-4-methylchromen-2-one;methanesulfonic acid
CID 88677960
ethene-1,1,2,2-tetracarbonitrile;7-hydroxy-4-methylchromen-2-one
CID 18475292
methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetate
CID 5395514
7-hydroxy-4-methylchromen-2-one;prop-2-enoic acid
CID 87246461
7-hydroxy-2-[(4-hydroxyphenyl)methyl]chromen-4-one
CID 10084377
4-[[3-aminopropyl(methyl)amino]methyl]-7-hydroxychromen-2-one
CID 115319311
7-hydroxy-4-octylchromen-2-one
CID 139771377
4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one
CID 8841578

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-hydroxychromen-2-one?
The IUPAC name of 4-amino-7-hydroxychromen-2-one (CID 5403605) is 4-amino-7-hydroxychromen-2-one.
What is the SMILES notation for 4-amino-7-hydroxychromen-2-one?
The canonical SMILES for 4-amino-7-hydroxychromen-2-one is Nc1cc(=O)oc2cc(O)ccc12.
What is the InChIKey of 4-amino-7-hydroxychromen-2-one?
The InChIKey is IDCAVENVBSHPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c10-7-4-9(12)13-8-3-5(11)1-2-6(7)8/h1-4,11H,10H2.
What are the key properties of 4-amino-7-hydroxychromen-2-one?
4-amino-7-hydroxychromen-2-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 4-amino-7-hydroxychromen-2-one is sourced from PubChem (CID 5403605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).