1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C22H17N3O4 — CID 72996845

IUPAC1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccc(Oc4cnccn4)cc3)C2)c2ccccc21
InChIInChI=1S/C22H17N3O4/c26-20(15-5-7-16(8-6-15)28-19-13-23-10-11-24-19)25-12-9-22(14-25)18-4-2-1-3-17(18)21(27)29-22/h1-8,10-11,13H,9,12,14H2
InChIKeyRYWQKGKUMDLOAW-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.18
Rot. Bonds3

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

1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 72996845) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID72996845
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccc(Oc4cnccn4)cc3)C2)c2ccccc21
InChIInChI=1S/C22H17N3O4/c26-20(15-5-7-16(8-6-15)28-19-13-23-10-11-24-19)25-12-9-22(14-25)18-4-2-1-3-17(18)21(27)29-22/h1-8,10-11,13H,9,12,14H2
InChIKeyRYWQKGKUMDLOAW-UHFFFAOYSA-N
XLogP3.18
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
(3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 11560793
1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618442
1'-[4-(2-methoxyethoxy)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618202
(3R)-1'-(1-pyridin-3-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662503
1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142434
N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 90618591
1'-[4-(3-methoxyphenyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719184
1'-[4-(trifluoromethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618118
4-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)benzonitrile
CID 90618069
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618692
(3R)-1'-[2-methyl-2-(4-pyridin-2-ylphenoxy)propanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 69176715

Frequently Asked Questions

What is the IUPAC name of 1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of 1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 72996845) is 1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for 1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for 1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is O=C1OC2(CCN(C(=O)c3ccc(Oc4cnccn4)cc3)C2)c2ccccc21.
What is the InChIKey of 1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is RYWQKGKUMDLOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c26-20(15-5-7-16(8-6-15)28-19-13-23-10-11-24-19)25-12-9-22(14-25)18-4-2-1-3-17(18)21(27)29-22/h1-8,10-11,13H,9,12,14H2.
What are the key properties of 1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 387.40 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-pyrazin-2-yloxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 72996845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).