(3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one

C20H20Cl2N6O2 — CID 167657849

IUPAC(3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one
SMILESO=C1C[C@@]2(CN1)CNc1ncc(Cl)cc12.O=C1C[C@]2(CN1)CNc1ncc(Cl)cc12
InChIInChI=1S/2C10H10ClN3O/c2*11-6-1-7-9(12-3-6)14-5-10(7)2-8(15)13-4-10/h2*1,3H,2,4-5H2,(H,12,14)(H,13,15)/t2*10-/m10/s1
InChIKeyRNHDTDRGSVHUIW-FTYBWHBYSA-N
MW447.33 g/mol
LogP1.84
Rot. Bonds

About (3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one

(3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one (PubChem CID 167657849) has the molecular formula C20H20Cl2N6O2 and a molecular weight of 447.33 g/mol. Its IUPAC name is (3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name(3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one
PubChem CID167657849
Molecular FormulaC20H20Cl2N6O2
Molecular Weight447.33 g/mol
Exact Mass446.10
IUPAC Name(3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one
SMILESO=C1C[C@@]2(CN1)CNc1ncc(Cl)cc12.O=C1C[C@]2(CN1)CNc1ncc(Cl)cc12
InChIInChI=1S/2C10H10ClN3O/c2*11-6-1-7-9(12-3-6)14-5-10(7)2-8(15)13-4-10/h2*1,3H,2,4-5H2,(H,12,14)(H,13,15)/t2*10-/m10/s1
InChIKeyRNHDTDRGSVHUIW-FTYBWHBYSA-N
XLogP1.84
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one with MolForge

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Related Compounds

5-bromospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]
CID 146536580
3-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]-1,2-dihydropyrrolo[2,3-b]pyridine
CID 141448789
5-ethyl-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]
CID 146536934
8-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclopropane]-2-one
CID 115452149
4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one
CID 107143665
3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 76848612
(3S)-3-methyl-2-oxo-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl-1H-indole-3-carbonitrile
CID 166034699
7-chloro-4,4-dioxo-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 105356998
7-chloro-4-oxo-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 105356964
4-(3-bromo-5-chloro-2-pyridinyl)piperazine-2,6-dione
CID 114837207
4-(5-chloro-3-fluoro-2-pyridinyl)piperazine-2,6-dione
CID 79727997
8-bromospiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cyclobutane]-2-one
CID 115447279

Frequently Asked Questions

What is the IUPAC name of (3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one?
The IUPAC name of (3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one (CID 167657849) is (3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one.
What is the SMILES notation for (3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one?
The canonical SMILES for (3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one is O=C1C[C@@]2(CN1)CNc1ncc(Cl)cc12.O=C1C[C@]2(CN1)CNc1ncc(Cl)cc12.
What is the InChIKey of (3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one?
The InChIKey is RNHDTDRGSVHUIW-FTYBWHBYSA-N. The full InChI is InChI=1S/2C10H10ClN3O/c2*11-6-1-7-9(12-3-6)14-5-10(7)2-8(15)13-4-10/h2*1,3H,2,4-5H2,(H,12,14)(H,13,15)/t2*10-/m10/s1.
What are the key properties of (3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one?
(3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one has a molecular weight of 447.33 g/mol, XLogP of 1.84, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one;(3S)-5-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 167657849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).