1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one

C19H19BrN2O — CID 71570483

IUPAC1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one
SMILESCN1CCCC12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12
InChIInChI=1S/C19H19BrN2O/c1-21-12-4-11-19(21)16-5-2-3-6-17(16)22(18(19)23)13-14-7-9-15(20)10-8-14/h2-3,5-10H,4,11-13H2,1H3
InChIKeyGGZYNACHZGNEJH-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.92
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one

1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one (PubChem CID 71570483) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one
PubChem CID71570483
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC Name1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one
SMILESCN1CCCC12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12
InChIInChI=1S/C19H19BrN2O/c1-21-12-4-11-19(21)16-5-2-3-6-17(16)22(18(19)23)13-14-7-9-15(20)10-8-14/h2-3,5-10H,4,11-13H2,1H3
InChIKeyGGZYNACHZGNEJH-UHFFFAOYSA-N
XLogP3.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one (CID 71570483) is 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one is CN1CCCC12C(=O)N(Cc1ccc(Br)cc1)c1ccccc12.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one?
The InChIKey is GGZYNACHZGNEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c1-21-12-4-11-19(21)16-5-2-3-6-17(16)22(18(19)23)13-14-7-9-15(20)10-8-14/h2-3,5-10H,4,11-13H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one?
1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one has a molecular weight of 371.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-1'-methylspiro[indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 71570483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).