(2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one

C10H8ClNO2S2 — CID 122376714

IUPAC(2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2cccc(Cl)c2[C@]12SCCS2=O
InChIInChI=1S/C10H8ClNO2S2/c11-6-2-1-3-7-8(6)10(9(13)12-7)15-4-5-16(10)14/h1-3H,4-5H2,(H,12,13)/t10-,16?/m1/s1
InChIKeyDEPSNNOIRDMCAE-HQNRFAHOSA-N
MW273.77 g/mol
LogP1.94
Rot. Bonds

About (2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one

(2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one (PubChem CID 122376714) has the molecular formula C10H8ClNO2S2 and a molecular weight of 273.77 g/mol. Its IUPAC name is (2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name(2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
PubChem CID122376714
Molecular FormulaC10H8ClNO2S2
Molecular Weight273.77 g/mol
Exact Mass272.97
IUPAC Name(2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2cccc(Cl)c2[C@]12SCCS2=O
InChIInChI=1S/C10H8ClNO2S2/c11-6-2-1-3-7-8(6)10(9(13)12-7)15-4-5-16(10)14/h1-3H,4-5H2,(H,12,13)/t10-,16?/m1/s1
InChIKeyDEPSNNOIRDMCAE-HQNRFAHOSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3,3-dimethyl-1H-indol-2-one
CID 53402598
8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096866
5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097277
8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 83754411
3-(1,3-benzodioxol-4-yl)-4-chloro-3-hydroxy-1H-indol-2-one
CID 67429107
6-chloro-3,3,4,4-tetramethyl-1,5-dihydro-1,5-benzodiazepin-2-one
CID 79291566
(2S)-3-(3-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 702157
(2R)-3-(3-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 702156
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one
CID 104839626
5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 117103622
1-chloro-9,9-dimethyl-10H-acridine
CID 151923654

Frequently Asked Questions

What is the IUPAC name of (2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
The IUPAC name of (2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one (CID 122376714) is (2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for (2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
The canonical SMILES for (2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one is O=C1Nc2cccc(Cl)c2[C@]12SCCS2=O.
What is the InChIKey of (2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
The InChIKey is DEPSNNOIRDMCAE-HQNRFAHOSA-N. The full InChI is InChI=1S/C10H8ClNO2S2/c11-6-2-1-3-7-8(6)10(9(13)12-7)15-4-5-16(10)14/h1-3H,4-5H2,(H,12,13)/t10-,16?/m1/s1.
What are the key properties of (2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one?
(2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one has a molecular weight of 273.77 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4'-chloro-1-oxospiro[1,3-dithiolane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 122376714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).