4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C13H13NO4 — CID 58317151

IUPAC4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESC=CCCCc1cc(=O)oc2c1C(=O)NC(=O)C2
InChIInChI=1S/C13H13NO4/c1-2-3-4-5-8-6-11(16)18-9-7-10(15)14-13(17)12(8)9/h2,6H,1,3-5,7H2,(H,14,15,17)
InChIKeyYBEBTNZAIMGDCI-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.96
Rot. Bonds4

About 4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317151) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317151
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESC=CCCCc1cc(=O)oc2c1C(=O)NC(=O)C2
InChIInChI=1S/C13H13NO4/c1-2-3-4-5-8-6-11(16)18-9-7-10(15)14-13(17)12(8)9/h2,6H,1,3-5,7H2,(H,14,15,17)
InChIKeyYBEBTNZAIMGDCI-UHFFFAOYSA-N
XLogP0.96
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317155
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317224
4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317010
4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317097
4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187698
4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187702
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317147
4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187460
7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187461
4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187734

Frequently Asked Questions

What is the IUPAC name of 4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317151) is 4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is C=CCCCc1cc(=O)oc2c1C(=O)NC(=O)C2.
What is the InChIKey of 4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is YBEBTNZAIMGDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-2-3-4-5-8-6-11(16)18-9-7-10(15)14-13(17)12(8)9/h2,6H,1,3-5,7H2,(H,14,15,17).
What are the key properties of 4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 247.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).