(2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate

C15H15NO4 — CID 6424391

IUPAC(2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H15NO4/c17-13-7-8-14(18)16(13)20-15(19)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8H2
InChIKeyLDWXFNPAMQLWLF-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.79
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate

(2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 6424391) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID6424391
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H15NO4/c17-13-7-8-14(18)16(13)20-15(19)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8H2
InChIKeyLDWXFNPAMQLWLF-UHFFFAOYSA-N
XLogP1.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.79
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) 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 6424391) is (2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate is O=C(ON1C(=O)CCC1=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is LDWXFNPAMQLWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-13-7-8-14(18)16(13)20-15(19)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.79, 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) 5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 6424391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).