7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid

C12H7NO5 — CID 66693492

IUPAC7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid
SMILESNc1ccc2c(oc(=O)c3occc32)c1C(=O)O
InChIInChI=1S/C12H7NO5/c13-7-2-1-5-6-3-4-17-10(6)12(16)18-9(5)8(7)11(14)15/h1-4H,13H2,(H,14,15)
InChIKeyCMCKKVANYCQYSZ-UHFFFAOYSA-N
MW245.19 g/mol
LogP1.82
Rot. Bonds1

About 7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid

7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid (PubChem CID 66693492) has the molecular formula C12H7NO5 and a molecular weight of 245.19 g/mol. Its IUPAC name is 7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid.

Molecular Properties

Compound Name7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid
PubChem CID66693492
Molecular FormulaC12H7NO5
Molecular Weight245.19 g/mol
Exact Mass245.03
IUPAC Name7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid
SMILESNc1ccc2c(oc(=O)c3occc32)c1C(=O)O
InChIInChI=1S/C12H7NO5/c13-7-2-1-5-6-3-4-17-10(6)12(16)18-9(5)8(7)11(14)15/h1-4H,13H2,(H,14,15)
InChIKeyCMCKKVANYCQYSZ-UHFFFAOYSA-N
XLogP1.82
TPSA106.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid?
The IUPAC name of 7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid (CID 66693492) is 7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid.
What is the SMILES notation for 7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid?
The canonical SMILES for 7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid is Nc1ccc2c(oc(=O)c3occc32)c1C(=O)O.
What is the InChIKey of 7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid?
The InChIKey is CMCKKVANYCQYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO5/c13-7-2-1-5-6-3-4-17-10(6)12(16)18-9(5)8(7)11(14)15/h1-4H,13H2,(H,14,15).
What are the key properties of 7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid?
7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid has a molecular weight of 245.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-oxofuro[2,3-c]chromene-6-carboxylic acid is sourced from PubChem (CID 66693492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).