4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

C15H19NO3 — CID 58187698

IUPAC4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCCCC)c2C(=O)N1
InChIInChI=1S/C15H19NO3/c1-3-4-5-6-7-11-9-13(17)19-12-8-10(2)16-15(18)14(11)12/h9H,2-8H2,1H3,(H,16,18)
InChIKeyBAWIHJDEWHHQFR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.56
Rot. Bonds5

About 4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187698) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187698
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCCCC)c2C(=O)N1
InChIInChI=1S/C15H19NO3/c1-3-4-5-6-7-11-9-13(17)19-12-8-10(2)16-15(18)14(11)12/h9H,2-8H2,1H3,(H,16,18)
InChIKeyBAWIHJDEWHHQFR-UHFFFAOYSA-N
XLogP2.56
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317155
5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione
CID 58187634
4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187734
7-(ethylamino)-4,6-dipentylchromen-2-one
CID 87483637
4,6-diethyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187566
7-hydroxy-4-octylchromen-2-one
CID 139771377
7-amino-4-heptadecylchromen-2-one
CID 170453027
1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione
CID 58187635
7-bromo-4-pentylchromen-2-one
CID 87859021
ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate
CID 58455620

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187698) is 4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CCCCCC)c2C(=O)N1.
What is the InChIKey of 4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is BAWIHJDEWHHQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-4-5-6-7-11-9-13(17)19-12-8-10(2)16-15(18)14(11)12/h9H,2-8H2,1H3,(H,16,18).
What are the key properties of 4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).