1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C19H18N2O3 — CID 53176926

IUPAC1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccccc1C(=O)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C19H18N2O3/c1-24-16-9-5-2-6-13(16)17(22)21-11-10-19(12-21)14-7-3-4-8-15(14)20-18(19)23/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyCNDMQXWRLXSMFR-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.43
Rot. Bonds2

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

1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53176926) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53176926
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccccc1C(=O)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C19H18N2O3/c1-24-16-9-5-2-6-13(16)17(22)21-11-10-19(12-21)14-7-3-4-8-15(14)20-18(19)23/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyCNDMQXWRLXSMFR-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176938
(3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103581
(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718493
(3R)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718494
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
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
(3S)-1'-(2-bromobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103735
(3R)-N-(3,4-dimethoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103649
1'-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 162633325
(3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide
CID 95722580
(3S)-5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103757

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53176926) is 1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccccc1C(=O)N1CCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is CNDMQXWRLXSMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-24-16-9-5-2-6-13(16)17(22)21-11-10-19(12-21)14-7-3-4-8-15(14)20-18(19)23/h2-9H,10-12H2,1H3,(H,20,23).
What are the key properties of 1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 322.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53176926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).