(2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate

C15H11NO4 — CID 6424294

IUPAC(2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H11NO4/c17-13-7-8-14(18)16(13)20-15(19)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyITIHGMYTWCAPQI-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.06
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate

(2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate (PubChem CID 6424294) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate
PubChem CID6424294
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H11NO4/c17-13-7-8-14(18)16(13)20-15(19)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyITIHGMYTWCAPQI-UHFFFAOYSA-N
XLogP2.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.06
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 (2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate (CID 6424294) is (2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate is O=C(ON1C(=O)CCC1=O)c1ccc2ccccc2c1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate?
The InChIKey is ITIHGMYTWCAPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-13-7-8-14(18)16(13)20-15(19)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate?
(2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) naphthalene-2-carboxylate is sourced from PubChem (CID 6424294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).