2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C21H21N3O3 — CID 96581096

IUPAC2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1ccccc1C(=O)N1CC[C@@]2(C1)C(=O)N(CC(N)=O)c1ccccc12
InChIInChI=1S/C21H21N3O3/c1-14-6-2-3-7-15(14)19(26)23-11-10-21(13-23)16-8-4-5-9-17(16)24(20(21)27)12-18(22)25/h2-9H,10-13H2,1H3,(H2,22,25)/t21-/m0/s1
InChIKeyPIVJJZCJGLVOEK-NRFANRHFSA-N
MW363.42 g/mol
LogP1.61
Rot. Bonds3

About 2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 96581096) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID96581096
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1ccccc1C(=O)N1CC[C@@]2(C1)C(=O)N(CC(N)=O)c1ccccc12
InChIInChI=1S/C21H21N3O3/c1-14-6-2-3-7-15(14)19(26)23-11-10-21(13-23)16-8-4-5-9-17(16)24(20(21)27)12-18(22)25/h2-9H,10-13H2,1H3,(H2,22,25)/t21-/m0/s1
InChIKeyPIVJJZCJGLVOEK-NRFANRHFSA-N
XLogP1.61
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 96581096) is 2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is Cc1ccccc1C(=O)N1CC[C@@]2(C1)C(=O)N(CC(N)=O)c1ccccc12.
What is the InChIKey of 2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is PIVJJZCJGLVOEK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-6-2-3-7-15(14)19(26)23-11-10-21(13-23)16-8-4-5-9-17(16)24(20(21)27)12-18(22)25/h2-9H,10-13H2,1H3,(H2,22,25)/t21-/m0/s1.
What are the key properties of 2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 96581096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).