4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

C15H15NO3 — CID 58187415

IUPAC4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CC3C=CCC3)c2C(=O)N1
InChIInChI=1S/C15H15NO3/c1-9-6-12-14(15(18)16-9)11(8-13(17)19-12)7-10-4-2-3-5-10/h2,4,8,10H,1,3,5-7H2,(H,16,18)
InChIKeyZSJHZOAYBCPQOI-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.95
Rot. Bonds2

About 4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187415) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187415
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CC3C=CCC3)c2C(=O)N1
InChIInChI=1S/C15H15NO3/c1-9-6-12-14(15(18)16-9)11(8-13(17)19-12)7-10-4-2-3-5-10/h2,4,8,10H,1,3,5-7H2,(H,16,18)
InChIKeyZSJHZOAYBCPQOI-UHFFFAOYSA-N
XLogP1.95
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(cyclopent-2-en-1-ylmethyl)-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-(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
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
4-(cycloheptylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187304

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187415) is 4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CC3C=CCC3)c2C(=O)N1.
What is the InChIKey of 4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is ZSJHZOAYBCPQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-6-12-14(15(18)16-9)11(8-13(17)19-12)7-10-4-2-3-5-10/h2,4,8,10H,1,3,5-7H2,(H,16,18).
What are the key properties of 4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 257.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).