5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H20N2O4 — CID 53177042

IUPAC5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)COc3ccccc3)C1)C(=O)N2
InChIInChI=1S/C20H20N2O4/c1-25-15-7-8-17-16(11-15)20(19(24)21-17)9-10-22(13-20)18(23)12-26-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)
InChIKeyCIDVTUAGPKOLGZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.20
Rot. Bonds4

About 5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177042) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53177042
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)COc3ccccc3)C1)C(=O)N2
InChIInChI=1S/C20H20N2O4/c1-25-15-7-8-17-16(11-15)20(19(24)21-17)9-10-22(13-20)18(23)12-26-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,21,24)
InChIKeyCIDVTUAGPKOLGZ-UHFFFAOYSA-N
XLogP2.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103895
5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177054
5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 53177255
5-methoxy-1'-[3-(4-methoxyphenyl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177050
(3S)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103769
5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177112
(3S)-1'-(2-bromobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103735
tert-butyl (3S)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706343
tert-butyl (3R)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706344
(3R)-5-methoxy-N-(2-methylphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103847
(3S)-5-methoxy-1'-(4-methylbenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103698
5-methoxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177101

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53177042) is 5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(C(=O)COc3ccccc3)C1)C(=O)N2.
What is the InChIKey of 5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is CIDVTUAGPKOLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-15-7-8-17-16(11-15)20(19(24)21-17)9-10-22(13-20)18(23)12-26-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,21,24).
What are the key properties of 5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 352.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).