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

C21H22N2O4 — CID 53177255

IUPAC5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)COc3ccccc3)C1)C(=O)N2C
InChIInChI=1S/C21H22N2O4/c1-22-18-9-8-16(26-2)12-17(18)21(20(22)25)10-11-23(14-21)19(24)13-27-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyIWVGHAIXYODZQS-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.22
Rot. Bonds4

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

5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177255) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177255
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)COc3ccccc3)C1)C(=O)N2C
InChIInChI=1S/C21H22N2O4/c1-22-18-9-8-16(26-2)12-17(18)21(20(22)25)10-11-23(14-21)19(24)13-27-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyIWVGHAIXYODZQS-UHFFFAOYSA-N
XLogP2.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177042
(3R)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104175
(3S)-5-methoxy-1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104122
(3S)-1'-(3,5-dimethoxybenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104144
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
CID 56893243
1'-(cyclopentanecarbonyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177264
(3S)-5-methoxy-1-methyl-1'-(thiophene-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95104114
(3S)-5-methoxy-N-(2-methoxyethyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104286
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,4'-piperidine]-2-one
CID 56885360
(3R)-1'-(4-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104137
1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177266
(3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103895

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 53177255) is 5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(C(=O)COc3ccccc3)C1)C(=O)N2C.
What is the InChIKey of 5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is IWVGHAIXYODZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-22-18-9-8-16(26-2)12-17(18)21(20(22)25)10-11-23(14-21)19(24)13-27-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one?
5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).