(3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C25H21NO4 — CID 11494998

IUPAC(3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1O[C@]2(CCN(C(=O)c3ccc(OCc4ccccc4)cc3)C2)c2ccccc21
InChIInChI=1S/C25H21NO4/c27-23(19-10-12-20(13-11-19)29-16-18-6-2-1-3-7-18)26-15-14-25(17-26)22-9-5-4-8-21(22)24(28)30-25/h1-13H,14-17H2/t25-/m0/s1
InChIKeyHOQLIGKSPOESCO-VWLOTQADSA-N
MW399.45 g/mol
LogP4.18
Rot. Bonds4

About (3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

(3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 11494998) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is (3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID11494998
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name(3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1O[C@]2(CCN(C(=O)c3ccc(OCc4ccccc4)cc3)C2)c2ccccc21
InChIInChI=1S/C25H21NO4/c27-23(19-10-12-20(13-11-19)29-16-18-6-2-1-3-7-18)26-15-14-25(17-26)22-9-5-4-8-21(22)24(28)30-25/h1-13H,14-17H2/t25-/m0/s1
InChIKeyHOQLIGKSPOESCO-VWLOTQADSA-N
XLogP4.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of (3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 11494998) is (3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for (3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for (3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is O=C1O[C@]2(CCN(C(=O)c3ccc(OCc4ccccc4)cc3)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is HOQLIGKSPOESCO-VWLOTQADSA-N. The full InChI is InChI=1S/C25H21NO4/c27-23(19-10-12-20(13-11-19)29-16-18-6-2-1-3-7-18)26-15-14-25(17-26)22-9-5-4-8-21(22)24(28)30-25/h1-13H,14-17H2/t25-/m0/s1.
What are the key properties of (3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
(3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 399.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(4-phenylmethoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 11494998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).