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

C21H22N2O3 — CID 53177054

IUPAC5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)Cc3ccccc3C)C1)C(=O)N2
InChIInChI=1S/C21H22N2O3/c1-14-5-3-4-6-15(14)11-19(24)23-10-9-21(13-23)17-12-16(26-2)7-8-18(17)22-20(21)25/h3-8,12H,9-11,13H2,1-2H3,(H,22,25)
InChIKeyYQPUJSJDPJDMKZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.67
Rot. Bonds3

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

5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177054) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53177054
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)Cc3ccccc3C)C1)C(=O)N2
InChIInChI=1S/C21H22N2O3/c1-14-5-3-4-6-15(14)11-19(24)23-10-9-21(13-23)17-12-16(26-2)7-8-18(17)22-20(21)25/h3-8,12H,9-11,13H2,1-2H3,(H,22,25)
InChIKeyYQPUJSJDPJDMKZ-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53177054) is 5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(C(=O)Cc3ccccc3C)C1)C(=O)N2.
What is the InChIKey of 5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is YQPUJSJDPJDMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-5-3-4-6-15(14)11-19(24)23-10-9-21(13-23)17-12-16(26-2)7-8-18(17)22-20(21)25/h3-8,12H,9-11,13H2,1-2H3,(H,22,25).
What are the key properties of 5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).