(3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione

C18H15ClN2O2 — CID 163524358

IUPAC(3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione
SMILESO=C1C=C[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](C2C=CC=NC2)C1
InChIInChI=1S/C18H15ClN2O2/c19-12-3-4-14-16(8-12)21-17(23)18(14)6-5-13(22)9-15(18)11-2-1-7-20-10-11/h1-8,11,15H,9-10H2,(H,21,23)/t11?,15-,18-/m1/s1
InChIKeyDNLWQXVGYVQYTN-CNLMCJLYSA-N
MW326.78 g/mol
LogP2.93
Rot. Bonds1

About (3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione

(3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione (PubChem CID 163524358) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione.

Molecular Properties

Compound Name(3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione
PubChem CID163524358
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione
SMILESO=C1C=C[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](C2C=CC=NC2)C1
InChIInChI=1S/C18H15ClN2O2/c19-12-3-4-14-16(8-12)21-17(23)18(14)6-5-13(22)9-15(18)11-2-1-7-20-10-11/h1-8,11,15H,9-10H2,(H,21,23)/t11?,15-,18-/m1/s1
InChIKeyDNLWQXVGYVQYTN-CNLMCJLYSA-N
XLogP2.93
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5'R)-6-chloro-5'-(3-methoxyphenyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3R,5'S)-6-chloro-5'-(3-methoxyphenyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione
CID 159962006
(3S,5'S)-6-chloro-5'-(5-chlorocyclohexa-2,4-dien-1-yl)-2'-(3-methylsulfanylphenyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione
CID 70252619
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
(3R,3'S,5'S)-6-bromo-3'-(3-chlorophenyl)-5'-methoxyspiro[1H-indole-3,4'-cyclohexane]-1',2-dione;(3R,5'R)-6-bromo-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione;(3R,5'S)-6-bromo-5'-(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione
CID 159572325
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
6-chlorospiro[1H-indole-3,3'-azetidine]-2-one
CID 155891599
(3R,6'R)-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[2-(trifluoromethyl)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 70311908
6-chlorospiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride
CID 72546604
(3R,4'R,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-cyclohexa-2,4-dien-1-ylspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 70998428
6-chloro-6'-(3-chlorophenyl)-4'-phenylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 131727313
(1R)-1-(2-amino-4-chlorophenyl)-6-(3,5-dichlorophenyl)-4-oxocyclohex-2-ene-1-carbaldehyde
CID 163751294
6-chloro-4'-(3-chlorophenyl)-6'-phenylspiro[1H-indole-3,5'-azepane]-2,2'-dione
CID 91616341

Frequently Asked Questions

What is the IUPAC name of (3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione?
The IUPAC name of (3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione (CID 163524358) is (3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione.
What is the SMILES notation for (3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione?
The canonical SMILES for (3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione is O=C1C=C[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](C2C=CC=NC2)C1.
What is the InChIKey of (3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione?
The InChIKey is DNLWQXVGYVQYTN-CNLMCJLYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-12-3-4-14-16(8-12)21-17(23)18(14)6-5-13(22)9-15(18)11-2-1-7-20-10-11/h1-8,11,15H,9-10H2,(H,21,23)/t11?,15-,18-/m1/s1.
What are the key properties of (3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione?
(3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione has a molecular weight of 326.78 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5'R)-6-chloro-5'-(2,3-dihydropyridin-3-yl)spiro[1H-indole-3,4'-cyclohex-2-ene]-1',2-dione is sourced from PubChem (CID 163524358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).