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

C14H15NO3 — CID 58187335

IUPAC7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=CCCCc1cc(=O)oc2c1C(=O)NC(=C)C2
InChIInChI=1S/C14H15NO3/c1-3-4-5-6-10-8-12(16)18-11-7-9(2)15-14(17)13(10)11/h3,8H,1-2,4-7H2,(H,15,17)
InChIKeyPJPBPCDRZMPJOG-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.95
Rot. Bonds4

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

7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187335) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187335
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=CCCCc1cc(=O)oc2c1C(=O)NC(=C)C2
InChIInChI=1S/C14H15NO3/c1-3-4-5-6-10-8-12(16)18-11-7-9(2)15-14(17)13(10)11/h3,8H,1-2,4-7H2,(H,15,17)
InChIKeyPJPBPCDRZMPJOG-UHFFFAOYSA-N
XLogP1.95
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1S)-3,3-difluorocyclopentyl]methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187330
7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187461
7-methylidene-4-(5,5,5-trifluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187480
7-methylidene-4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187587
4-[4-(difluoromethylidene)hexyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187601
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187647
4-[2-(3,3-difluorocyclobutyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187661
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
4-(2-cyclopentylethyl)-3-methyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187280
7-methylidene-4-(4-methylpentyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187292
4-(cycloheptylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187304

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187335) is 7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione is C=CCCCc1cc(=O)oc2c1C(=O)NC(=C)C2.
What is the InChIKey of 7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is PJPBPCDRZMPJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-4-5-6-10-8-12(16)18-11-7-9(2)15-14(17)13(10)11/h3,8H,1-2,4-7H2,(H,15,17).
What are the key properties of 7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione?
7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 245.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).