1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione

C18H10N2O4 — CID 22712689

IUPAC1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cc(N2C(=O)C=CC2=O)c2ccccc2c1
InChIInChI=1S/C18H10N2O4/c21-15-5-6-16(22)19(15)12-9-11-3-1-2-4-13(11)14(10-12)20-17(23)7-8-18(20)24/h1-10H
InChIKeyHZPUVJZCAGAHHW-UHFFFAOYSA-N
MW318.29 g/mol
LogP1.70
Rot. Bonds2

About 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione

1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione (PubChem CID 22712689) has the molecular formula C18H10N2O4 and a molecular weight of 318.29 g/mol. Its IUPAC name is 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione
PubChem CID22712689
Molecular FormulaC18H10N2O4
Molecular Weight318.29 g/mol
Exact Mass318.06
IUPAC Name1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cc(N2C(=O)C=CC2=O)c2ccccc2c1
InChIInChI=1S/C18H10N2O4/c21-15-5-6-16(22)19(15)12-9-11-3-1-2-4-13(11)14(10-12)20-17(23)7-8-18(20)24/h1-10H
InChIKeyHZPUVJZCAGAHHW-UHFFFAOYSA-N
XLogP1.70
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
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 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione (CID 22712689) is 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1cc(N2C(=O)C=CC2=O)c2ccccc2c1.
What is the InChIKey of 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione?
The InChIKey is HZPUVJZCAGAHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O4/c21-15-5-6-16(22)19(15)12-9-11-3-1-2-4-13(11)14(10-12)20-17(23)7-8-18(20)24/h1-10H.
What are the key properties of 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione?
1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione has a molecular weight of 318.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 22712689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).