7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione

C22H21NO2 — CID 171559576

IUPAC7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione
SMILESO=C1CC2(CCC(=O)c3cc(-c4ccccc4C4CC4)ccc32)CN1
InChIInChI=1S/C22H21NO2/c24-20-9-10-22(12-21(25)23-13-22)19-8-7-15(11-18(19)20)17-4-2-1-3-16(17)14-5-6-14/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,23,25)
InChIKeyGPQJRASTIYPJSD-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.97
Rot. Bonds2

About 7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione

7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione (PubChem CID 171559576) has the molecular formula C22H21NO2 and a molecular weight of 331.41 g/mol. Its IUPAC name is 7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione.

Molecular Properties

Compound Name7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione
PubChem CID171559576
Molecular FormulaC22H21NO2
Molecular Weight331.41 g/mol
Exact Mass331.16
IUPAC Name7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione
SMILESO=C1CC2(CCC(=O)c3cc(-c4ccccc4C4CC4)ccc32)CN1
InChIInChI=1S/C22H21NO2/c24-20-9-10-22(12-21(25)23-13-22)19-8-7-15(11-18(19)20)17-4-2-1-3-16(17)14-5-6-14/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,23,25)
InChIKeyGPQJRASTIYPJSD-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione?
The IUPAC name of 7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione (CID 171559576) is 7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione.
What is the SMILES notation for 7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione?
The canonical SMILES for 7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione is O=C1CC2(CCC(=O)c3cc(-c4ccccc4C4CC4)ccc32)CN1.
What is the InChIKey of 7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione?
The InChIKey is GPQJRASTIYPJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-20-9-10-22(12-21(25)23-13-22)19-8-7-15(11-18(19)20)17-4-2-1-3-16(17)14-5-6-14/h1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,23,25).
What are the key properties of 7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione?
7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione has a molecular weight of 331.41 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopropylphenyl)spiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-1,2'-dione is sourced from PubChem (CID 171559576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).