benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate

C19H17NO4 — CID 58589411

IUPACbenzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate
SMILESO=C1OC2(CCN(C(=O)OCc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C19H17NO4/c21-17-15-8-4-5-9-16(15)19(24-17)10-11-20(13-19)18(22)23-12-14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyYRVDHHIKSAQYAT-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.09
Rot. Bonds2

About benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate

benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate (PubChem CID 58589411) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate
PubChem CID58589411
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namebenzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate
SMILESO=C1OC2(CCN(C(=O)OCc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C19H17NO4/c21-17-15-8-4-5-9-16(15)19(24-17)10-11-20(13-19)18(22)23-12-14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyYRVDHHIKSAQYAT-UHFFFAOYSA-N
XLogP3.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate (CID 58589411) is benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate is O=C1OC2(CCN(C(=O)OCc3ccccc3)C2)c2ccccc21.
What is the InChIKey of benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is YRVDHHIKSAQYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-17-15-8-4-5-9-16(15)19(24-17)10-11-20(13-19)18(22)23-12-14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate?
benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 58589411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).