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

C16H19NO3 — CID 58187515

IUPAC4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCCC3CC3)c2C(=O)N1
InChIInChI=1S/C16H19NO3/c1-10-8-13-15(16(19)17-10)12(9-14(18)20-13)5-3-2-4-11-6-7-11/h9,11H,1-8H2,(H,17,19)
InChIKeyAKEHXCLPQTWCHO-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.56
Rot. Bonds5

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

4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187515) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187515
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCCC3CC3)c2C(=O)N1
InChIInChI=1S/C16H19NO3/c1-10-8-13-15(16(19)17-10)12(9-14(18)20-13)5-3-2-4-11-6-7-11/h9,11H,1-8H2,(H,17,19)
InChIKeyAKEHXCLPQTWCHO-UHFFFAOYSA-N
XLogP2.56
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
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

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
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
2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide
CID 89271973
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-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187515) is 4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CCCCC3CC3)c2C(=O)N1.
What is the InChIKey of 4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is AKEHXCLPQTWCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-8-13-15(16(19)17-10)12(9-14(18)20-13)5-3-2-4-11-6-7-11/h9,11H,1-8H2,(H,17,19).
What are the key properties of 4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 273.33 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-(4-cyclopropylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).