8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid

C17H15NO7 — CID 86290505

IUPAC8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid
SMILESC=CCOC(=O)N1CCc2c(c(=O)oc3c(C(=O)O)c(O)ccc23)C1
InChIInChI=1S/C17H15NO7/c1-2-7-24-17(23)18-6-5-9-10-3-4-12(19)13(15(20)21)14(10)25-16(22)11(9)8-18/h2-4,19H,1,5-8H2,(H,20,21)
InChIKeyKSACDTSKVOYZTP-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.88
Rot. Bonds3

About 8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid

8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid (PubChem CID 86290505) has the molecular formula C17H15NO7 and a molecular weight of 345.31 g/mol. Its IUPAC name is 8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid
PubChem CID86290505
Molecular FormulaC17H15NO7
Molecular Weight345.31 g/mol
Exact Mass345.08
IUPAC Name8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid
SMILESC=CCOC(=O)N1CCc2c(c(=O)oc3c(C(=O)O)c(O)ccc23)C1
InChIInChI=1S/C17H15NO7/c1-2-7-24-17(23)18-6-5-9-10-3-4-12(19)13(15(20)21)14(10)25-16(22)11(9)8-18/h2-4,19H,1,5-8H2,(H,20,21)
InChIKeyKSACDTSKVOYZTP-UHFFFAOYSA-N
XLogP1.88
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid?
The IUPAC name of 8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid (CID 86290505) is 8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid?
The canonical SMILES for 8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid is C=CCOC(=O)N1CCc2c(c(=O)oc3c(C(=O)O)c(O)ccc23)C1.
What is the InChIKey of 8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid?
The InChIKey is KSACDTSKVOYZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO7/c1-2-7-24-17(23)18-6-5-9-10-3-4-12(19)13(15(20)21)14(10)25-16(22)11(9)8-18/h2-4,19H,1,5-8H2,(H,20,21).
What are the key properties of 8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid?
8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid has a molecular weight of 345.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-oxo-3-prop-2-enoxycarbonyl-2,4-dihydro-1H-chromeno[3,4-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 86290505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).