3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione

C18H10N2O4 — CID 54282373

IUPAC3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc3ccccc3c2C2=CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C18H10N2O4/c21-14-7-12(17(23)19-14)11-6-5-9-3-1-2-4-10(9)16(11)13-8-15(22)20-18(13)24/h1-8H,(H,19,21,23)(H,20,22,24)
InChIKeyRRRNFQJSHAPPDL-UHFFFAOYSA-N
MW318.29 g/mol
LogP0.92
Rot. Bonds2

About 3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione

3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione (PubChem CID 54282373) has the molecular formula C18H10N2O4 and a molecular weight of 318.29 g/mol. Its IUPAC name is 3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione
PubChem CID54282373
Molecular FormulaC18H10N2O4
Molecular Weight318.29 g/mol
Exact Mass318.06
IUPAC Name3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc3ccccc3c2C2=CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C18H10N2O4/c21-14-7-12(17(23)19-14)11-6-5-9-3-1-2-4-10(9)16(11)13-8-15(22)20-18(13)24/h1-8H,(H,19,21,23)(H,20,22,24)
InChIKeyRRRNFQJSHAPPDL-UHFFFAOYSA-N
XLogP0.92
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione?
The IUPAC name of 3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione (CID 54282373) is 3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione is O=C1C=C(c2ccc3ccccc3c2C2=CC(=O)NC2=O)C(=O)N1.
What is the InChIKey of 3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione?
The InChIKey is RRRNFQJSHAPPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O4/c21-14-7-12(17(23)19-14)11-6-5-9-3-1-2-4-10(9)16(11)13-8-15(22)20-18(13)24/h1-8H,(H,19,21,23)(H,20,22,24).
What are the key properties of 3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione?
3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione has a molecular weight of 318.29 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dioxopyrrol-3-yl)naphthalen-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 54282373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).