(3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C24H19NO4 — CID 91311461

IUPAC(3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cccc2c1C(=O)O[C@]21CCNC1
InChIInChI=1S/C24H19NO4/c26-22(16-9-11-18(12-10-16)28-17-5-2-1-3-6-17)19-7-4-8-20-21(19)23(27)29-24(20)13-14-25-15-24/h1-12,25H,13-15H2/t24-/m0/s1
InChIKeyZGVCZIOHVWJYBJ-DEOSSOPVSA-N
MW385.42 g/mol
LogP4.07
Rot. Bonds4

About (3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

(3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 91311461) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name(3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID91311461
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name(3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cccc2c1C(=O)O[C@]21CCNC1
InChIInChI=1S/C24H19NO4/c26-22(16-9-11-18(12-10-16)28-17-5-2-1-3-6-17)19-7-4-8-20-21(19)23(27)29-24(20)13-14-25-15-24/h1-12,25H,13-15H2/t24-/m0/s1
InChIKeyZGVCZIOHVWJYBJ-DEOSSOPVSA-N
XLogP4.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[1-(4-bromophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 91055608
7-[1-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 91368224
7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84684567
1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 163987169
7-benzyl-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90701563
3-[4-(3-amino-2-phenoxybenzoyl)phenoxy]benzoic acid
CID 19862065
[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 19828743

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of (3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 91311461) is (3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for (3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for (3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is O=C(c1ccc(Oc2ccccc2)cc1)c1cccc2c1C(=O)O[C@]21CCNC1.
What is the InChIKey of (3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is ZGVCZIOHVWJYBJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H19NO4/c26-22(16-9-11-18(12-10-16)28-17-5-2-1-3-6-17)19-7-4-8-20-21(19)23(27)29-24(20)13-14-25-15-24/h1-12,25H,13-15H2/t24-/m0/s1.
What are the key properties of (3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
(3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 385.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 91311461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).