ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate

C12H11NO5 — CID 5377214

IUPACethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cc(N)c(O)cc2o1
InChIInChI=1S/C12H11NO5/c1-2-17-12(16)11-4-8(14)6-3-7(13)9(15)5-10(6)18-11/h3-5,15H,2,13H2,1H3
InChIKeyWSDXFMNGKBAJLQ-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.26
Rot. Bonds2

About ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate

ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate (PubChem CID 5377214) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate
PubChem CID5377214
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Nameethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cc(N)c(O)cc2o1
InChIInChI=1S/C12H11NO5/c1-2-17-12(16)11-4-8(14)6-3-7(13)9(15)5-10(6)18-11/h3-5,15H,2,13H2,1H3
InChIKeyWSDXFMNGKBAJLQ-UHFFFAOYSA-N
XLogP1.26
TPSA102.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate 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

ethyl 7-hydroxy-6-nitro-4-oxochromene-2-carboxylate
CID 5378077
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
ethyl 7-ethyl-4-oxochromene-2-carboxylate
CID 22924455
ethyl 7-hydroxy-4-oxochromene-2-carboxylate;7-hydroxy-2-(hydroxymethyl)chromen-4-one
CID 160975514
ethyl 7-iodo-4-oxochromene-2-carboxylate
CID 119089265
ethyl 6-bromo-7-formyl-4-oxochromene-2-carboxylate
CID 156537403
ethyl 8-bromo-7-hydroxy-4-oxochromene-2-carboxylate
CID 628562
ethyl 6-[5-(2-ethoxycarbonyl-4-oxochromen-6-yl)oxypentoxy]-4-oxochromene-2-carboxylate
CID 154133959
ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate
CID 2801547
diethyl 4-amino-5-hydroxybenzene-1,2-dicarboxylate
CID 19800643
ethyl 6-benzamido-4-oxochromene-2-carboxylate
CID 22471894
ethyl 6-fluoro-8-nitro-4-oxochromene-2-carboxylate
CID 71734867

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate?
The IUPAC name of ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate (CID 5377214) is ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate.
What is the SMILES notation for ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate?
The canonical SMILES for ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate is CCOC(=O)c1cc(=O)c2cc(N)c(O)cc2o1.
What is the InChIKey of ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate?
The InChIKey is WSDXFMNGKBAJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-2-17-12(16)11-4-8(14)6-3-7(13)9(15)5-10(6)18-11/h3-5,15H,2,13H2,1H3.
What are the key properties of ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate?
ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate has a molecular weight of 249.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate is sourced from PubChem (CID 5377214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).