6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid

C19H13NO5 — CID 174151009

IUPAC6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid
SMILESC=C(C)Nc1ccc2oc3c4ccc(C(=O)O)cc4oc(=O)c3c2c1
InChIInChI=1S/C19H13NO5/c1-9(2)20-11-4-6-14-13(8-11)16-17(24-14)12-5-3-10(18(21)22)7-15(12)25-19(16)23/h3-8,20H,1H2,2H3,(H,21,22)
InChIKeyDRXXFOYYPNHWEI-UHFFFAOYSA-N
MW335.32 g/mol
LogP4.34
Rot. Bonds3

About 6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid

6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid (PubChem CID 174151009) has the molecular formula C19H13NO5 and a molecular weight of 335.32 g/mol. Its IUPAC name is 6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid
PubChem CID174151009
Molecular FormulaC19H13NO5
Molecular Weight335.32 g/mol
Exact Mass335.08
IUPAC Name6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid
SMILESC=C(C)Nc1ccc2oc3c4ccc(C(=O)O)cc4oc(=O)c3c2c1
InChIInChI=1S/C19H13NO5/c1-9(2)20-11-4-6-14-13(8-11)16-17(24-14)12-5-3-10(18(21)22)7-15(12)25-19(16)23/h3-8,20H,1H2,2H3,(H,21,22)
InChIKeyDRXXFOYYPNHWEI-UHFFFAOYSA-N
XLogP4.34
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid 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

6-oxobenzo[c]chromene-3-carboxylic acid
CID 20530939
8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one
CID 118531178
8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one
CID 169315990
(8,9-diacetyloxy-6-oxo-[1]benzofuro[3,2-c]chromen-3-yl) acetate;hydrobromide
CID 90484364
2-methyl-4-oxochromene-7-carboxylic acid
CID 166609828
8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid
CID 151070737
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838
(6S)-16-hydroxy-6-prop-1-en-2-yl-7,11,19-trioxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,8,13(18),14,16-heptaen-20-one
CID 122177584
5,7-ditert-butyl-9-oxoxanthene-2-carboxylic acid
CID 12825848
carbon dioxide;9-oxoxanthene-3-carboxylic acid
CID 158563906
N-(9-oxoxanthen-2-yl)acetamide
CID 72793124

Frequently Asked Questions

What is the IUPAC name of 6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid?
The IUPAC name of 6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid (CID 174151009) is 6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid.
What is the SMILES notation for 6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid?
The canonical SMILES for 6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid is C=C(C)Nc1ccc2oc3c4ccc(C(=O)O)cc4oc(=O)c3c2c1.
What is the InChIKey of 6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid?
The InChIKey is DRXXFOYYPNHWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO5/c1-9(2)20-11-4-6-14-13(8-11)16-17(24-14)12-5-3-10(18(21)22)7-15(12)25-19(16)23/h3-8,20H,1H2,2H3,(H,21,22).
What are the key properties of 6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid?
6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid has a molecular weight of 335.32 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid is sourced from PubChem (CID 174151009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).