4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

C15H15F2NO3 — CID 58187647

IUPAC4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCC(C)=C(F)F)c2C(=O)N1
InChIInChI=1S/C15H15F2NO3/c1-8(14(16)17)4-3-5-10-7-12(19)21-11-6-9(2)18-15(20)13(10)11/h7H,2-6H2,1H3,(H,18,20)
InChIKeyCMQNICKFXSQYRO-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.93
Rot. Bonds4

About 4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187647) has the molecular formula C15H15F2NO3 and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187647
Molecular FormulaC15H15F2NO3
Molecular Weight295.29 g/mol
Exact Mass295.10
IUPAC Name4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCC(C)=C(F)F)c2C(=O)N1
InChIInChI=1S/C15H15F2NO3/c1-8(14(16)17)4-3-5-10-7-12(19)21-11-6-9(2)18-15(20)13(10)11/h7H,2-6H2,1H3,(H,18,20)
InChIKeyCMQNICKFXSQYRO-UHFFFAOYSA-N
XLogP2.93
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione with MolForge

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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-[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-(5,5-difluoro-4-methylpent-4-enyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317013
4-(5,5-difluoropent-4-enyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317072
4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317102
4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317113

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187647) is 4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CCCC(C)=C(F)F)c2C(=O)N1.
What is the InChIKey of 4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is CMQNICKFXSQYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c1-8(14(16)17)4-3-5-10-7-12(19)21-11-6-9(2)18-15(20)13(10)11/h7H,2-6H2,1H3,(H,18,20).
What are the key properties of 4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 295.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).