1-anthracen-1-ylpyrrole-2,5-dione

C18H11NO2 — CID 15372228

IUPAC1-anthracen-1-ylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc2cc3ccccc3cc12
InChIInChI=1S/C18H11NO2/c20-17-8-9-18(21)19(17)16-7-3-6-14-10-12-4-1-2-5-13(12)11-15(14)16/h1-11H
InChIKeyKDAWPZGMRHZLRB-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.42
Rot. Bonds1

About 1-anthracen-1-ylpyrrole-2,5-dione

1-anthracen-1-ylpyrrole-2,5-dione (PubChem CID 15372228) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-anthracen-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-anthracen-1-ylpyrrole-2,5-dione
PubChem CID15372228
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name1-anthracen-1-ylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cccc2cc3ccccc3cc12
InChIInChI=1S/C18H11NO2/c20-17-8-9-18(21)19(17)16-7-3-6-14-10-12-4-1-2-5-13(12)11-15(14)16/h1-11H
InChIKeyKDAWPZGMRHZLRB-UHFFFAOYSA-N
XLogP3.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-anthracen-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-anthracen-1-ylpyrrole-2,5-dione (CID 15372228) is 1-anthracen-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-anthracen-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-anthracen-1-ylpyrrole-2,5-dione is O=C1C=CC(=O)N1c1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-anthracen-1-ylpyrrole-2,5-dione?
The InChIKey is KDAWPZGMRHZLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c20-17-8-9-18(21)19(17)16-7-3-6-14-10-12-4-1-2-5-13(12)11-15(14)16/h1-11H.
What are the key properties of 1-anthracen-1-ylpyrrole-2,5-dione?
1-anthracen-1-ylpyrrole-2,5-dione has a molecular weight of 273.29 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 15372228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).