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

C16H21NO3 — CID 58187460

IUPAC4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCC(CC)CC)c2C(=O)N1
InChIInChI=1S/C16H21NO3/c1-4-11(5-2)6-7-12-9-14(18)20-13-8-10(3)17-16(19)15(12)13/h9,11H,3-8H2,1-2H3,(H,17,19)
InChIKeySUZGIYYCYPPFGE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.81
Rot. Bonds5

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

4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187460) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187460
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCC(CC)CC)c2C(=O)N1
InChIInChI=1S/C16H21NO3/c1-4-11(5-2)6-7-12-9-14(18)20-13-8-10(3)17-16(19)15(12)13/h9,11H,3-8H2,1-2H3,(H,17,19)
InChIKeySUZGIYYCYPPFGE-UHFFFAOYSA-N
XLogP2.81
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187698
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
4-(2-cyclopentylethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187488
7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187461
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
4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317151
4,6-diethyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187566
4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317224
4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317097
4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317147
4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317010

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187460) is 4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CCC(CC)CC)c2C(=O)N1.
What is the InChIKey of 4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is SUZGIYYCYPPFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-11(5-2)6-7-12-9-14(18)20-13-8-10(3)17-16(19)15(12)13/h9,11H,3-8H2,1-2H3,(H,17,19).
What are the key properties of 4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).