6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one

C22H21N3O2 — CID 158122125

IUPAC6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
SMILESCOc1ccc2c(c1)NC1(CCN(c3ccc(C4=CCN=C4)cc3)C1=O)C2
InChIInChI=1S/C22H21N3O2/c1-27-19-7-4-16-13-22(24-20(16)12-19)9-11-25(21(22)26)18-5-2-15(3-6-18)17-8-10-23-14-17/h2-8,12,14,24H,9-11,13H2,1H3
InChIKeyWCUKNOXILGDILV-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.31
Rot. Bonds3

About 6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one

6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one (PubChem CID 158122125) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
PubChem CID158122125
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
SMILESCOc1ccc2c(c1)NC1(CCN(c3ccc(C4=CCN=C4)cc3)C1=O)C2
InChIInChI=1S/C22H21N3O2/c1-27-19-7-4-16-13-22(24-20(16)12-19)9-11-25(21(22)26)18-5-2-15(3-6-18)17-8-10-23-14-17/h2-8,12,14,24H,9-11,13H2,1H3
InChIKeyWCUKNOXILGDILV-UHFFFAOYSA-N
XLogP3.31
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
The IUPAC name of 6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one (CID 158122125) is 6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
The canonical SMILES for 6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one is COc1ccc2c(c1)NC1(CCN(c3ccc(C4=CCN=C4)cc3)C1=O)C2.
What is the InChIKey of 6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
The InChIKey is WCUKNOXILGDILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-27-19-7-4-16-13-22(24-20(16)12-19)9-11-25(21(22)26)18-5-2-15(3-6-18)17-8-10-23-14-17/h2-8,12,14,24H,9-11,13H2,1H3.
What are the key properties of 6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one has a molecular weight of 359.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 158122125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).