(3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C21H18ClN3O3 — CID 168919563

IUPAC(3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(CN1Cc2cc(Cl)ccc2C1=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H18ClN3O3/c22-14-5-6-15-13(9-14)10-25(19(15)27)11-18(26)24-8-7-21(12-24)16-3-1-2-4-17(16)23-20(21)28/h1-6,9H,7-8,10-12H2,(H,23,28)/t21-/m0/s1
InChIKeyVFPHUTVZGCQVPX-NRFANRHFSA-N
MW395.85 g/mol
LogP2.42
Rot. Bonds2

About (3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

(3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 168919563) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is (3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID168919563
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name(3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(CN1Cc2cc(Cl)ccc2C1=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H18ClN3O3/c22-14-5-6-15-13(9-14)10-25(19(15)27)11-18(26)24-8-7-21(12-24)16-3-1-2-4-17(16)23-20(21)28/h1-6,9H,7-8,10-12H2,(H,23,28)/t21-/m0/s1
InChIKeyVFPHUTVZGCQVPX-NRFANRHFSA-N
XLogP2.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
(3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 125183618
1'-[2-(2,6-dichlorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862912
benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192246
3-methyl-1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119257393
9H-fluoren-9-ylmethyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 125183653
1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167896087
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177006
(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 129369255

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 168919563) is (3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(CN1Cc2cc(Cl)ccc2C1=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of (3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is VFPHUTVZGCQVPX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-14-5-6-15-13(9-14)10-25(19(15)27)11-18(26)24-8-7-21(12-24)16-3-1-2-4-17(16)23-20(21)28/h1-6,9H,7-8,10-12H2,(H,23,28)/t21-/m0/s1.
What are the key properties of (3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 395.85 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 168919563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).