3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione

C15H18N2O4 — CID 23042464

IUPAC3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione
SMILESO=C1C=C(CCCCCCCC2=CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C15H18N2O4/c18-12-8-10(14(20)16-12)6-4-2-1-3-5-7-11-9-13(19)17-15(11)21/h8-9H,1-7H2,(H,16,18,20)(H,17,19,21)
InChIKeySAGMXBCIIFKDPK-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.88
Rot. Bonds8

About 3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione

3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione (PubChem CID 23042464) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione
PubChem CID23042464
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione
SMILESO=C1C=C(CCCCCCCC2=CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C15H18N2O4/c18-12-8-10(14(20)16-12)6-4-2-1-3-5-7-11-9-13(19)17-15(11)21/h8-9H,1-7H2,(H,16,18,20)(H,17,19,21)
InChIKeySAGMXBCIIFKDPK-UHFFFAOYSA-N
XLogP0.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione?
The IUPAC name of 3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione (CID 23042464) is 3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione is O=C1C=C(CCCCCCCC2=CC(=O)NC2=O)C(=O)N1.
What is the InChIKey of 3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione?
The InChIKey is SAGMXBCIIFKDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-12-8-10(14(20)16-12)6-4-2-1-3-5-7-11-9-13(19)17-15(11)21/h8-9H,1-7H2,(H,16,18,20)(H,17,19,21).
What are the key properties of 3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione?
3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione has a molecular weight of 290.32 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2,5-dioxopyrrol-3-yl)heptyl]pyrrole-2,5-dione is sourced from PubChem (CID 23042464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).