1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one

C24H23N3O3 — CID 157015900

IUPAC1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1cccc(CN2C(=O)C3(CCN(C(=O)c4ccc[nH]4)C3)c3ccccc32)c1
InChIInChI=1S/C24H23N3O3/c1-30-18-7-4-6-17(14-18)15-27-21-10-3-2-8-19(21)24(23(27)29)11-13-26(16-24)22(28)20-9-5-12-25-20/h2-10,12,14,25H,11,13,15-16H2,1H3
InChIKeyHXMYTXRLRGGCDN-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.35
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one

1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 157015900) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID157015900
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1cccc(CN2C(=O)C3(CCN(C(=O)c4ccc[nH]4)C3)c3ccccc32)c1
InChIInChI=1S/C24H23N3O3/c1-30-18-7-4-6-17(14-18)15-27-21-10-3-2-8-19(21)24(23(27)29)11-13-26(16-24)22(28)20-9-5-12-25-20/h2-10,12,14,25H,11,13,15-16H2,1H3
InChIKeyHXMYTXRLRGGCDN-UHFFFAOYSA-N
XLogP3.35
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95712349
1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157016297
methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134795039
(2S)-3-(3-methoxybenzoyl)-1'-[(3-methoxyphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186213
(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one
CID 95095280
butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 144930300
1'-(4-chlorobenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134788843
1'-[(3-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016829
1'-(furan-2-carbonyl)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375649
1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 157018402
2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96581096
2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70723838

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 157015900) is 1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one is COc1cccc(CN2C(=O)C3(CCN(C(=O)c4ccc[nH]4)C3)c3ccccc32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HXMYTXRLRGGCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-30-18-7-4-6-17(14-18)15-27-21-10-3-2-8-19(21)24(23(27)29)11-13-26(16-24)22(28)20-9-5-12-25-20/h2-10,12,14,25H,11,13,15-16H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 401.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 157015900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).