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

C14H17NO3 — CID 58187349

IUPAC4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCC(C)C)c2C(=O)N1
InChIInChI=1S/C14H17NO3/c1-8(2)4-5-10-7-12(16)18-11-6-9(3)15-14(17)13(10)11/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyPNZDKRARLCHIPG-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.03
Rot. Bonds3

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

4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187349) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187349
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCC(C)C)c2C(=O)N1
InChIInChI=1S/C14H17NO3/c1-8(2)4-5-10-7-12(16)18-11-6-9(3)15-14(17)13(10)11/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyPNZDKRARLCHIPG-UHFFFAOYSA-N
XLogP2.03
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(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-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide
CID 143674442
N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide
CID 58187269
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187349) is 4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CCC(C)C)c2C(=O)N1.
What is the InChIKey of 4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is PNZDKRARLCHIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8(2)4-5-10-7-12(16)18-11-6-9(3)15-14(17)13(10)11/h7-8H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 247.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).