(3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H20N2O4 — CID 95103581

IUPAC(3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(OC)c1
InChIInChI=1S/C20H20N2O4/c1-25-13-7-8-14(17(11-13)26-2)18(23)22-10-9-20(12-22)15-5-3-4-6-16(15)21-19(20)24/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)/t20-/m0/s1
InChIKeyOKFQHUNYAYDXCS-FQEVSTJZSA-N
MW352.39 g/mol
LogP2.44
Rot. Bonds3

About (3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 95103581) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID95103581
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(OC)c1
InChIInChI=1S/C20H20N2O4/c1-25-13-7-8-14(17(11-13)26-2)18(23)22-10-9-20(12-22)15-5-3-4-6-16(15)21-19(20)24/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)/t20-/m0/s1
InChIKeyOKFQHUNYAYDXCS-FQEVSTJZSA-N
XLogP2.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176938
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
(3S)-1'-(2-bromobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103735
(3S)-5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103757
1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 155956164
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 68811952
(3S)-5-methoxy-1'-(4-methylbenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103698
(3R)-N-(3,4-dimethoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103649
(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718493
1'-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 162633325
(3R)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718494

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 95103581) is (3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(OC)c1.
What is the InChIKey of (3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is OKFQHUNYAYDXCS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-13-7-8-14(17(11-13)26-2)18(23)22-10-9-20(12-22)15-5-3-4-6-16(15)21-19(20)24/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)/t20-/m0/s1.
What are the key properties of (3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 352.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 95103581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).