(3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C14H14Cl2N2O3 — CID 167203196

IUPAC(3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESC[C@H](O)C(=O)N1CC[C@]2(C1)C(=O)Nc1cc(Cl)c(Cl)cc12
InChIInChI=1S/C14H14Cl2N2O3/c1-7(19)12(20)18-3-2-14(6-18)8-4-9(15)10(16)5-11(8)17-13(14)21/h4-5,7,19H,2-3,6H2,1H3,(H,17,21)/t7-,14+/m0/s1
InChIKeyGAXRMLZVSOCZTN-JKYUHCHBSA-N
MW329.18 g/mol
LogP1.80
Rot. Bonds1

About (3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

(3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 167203196) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is (3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID167203196
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC Name(3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESC[C@H](O)C(=O)N1CC[C@]2(C1)C(=O)Nc1cc(Cl)c(Cl)cc12
InChIInChI=1S/C14H14Cl2N2O3/c1-7(19)12(20)18-3-2-14(6-18)8-4-9(15)10(16)5-11(8)17-13(14)21/h4-5,7,19H,2-3,6H2,1H3,(H,17,21)/t7-,14+/m0/s1
InChIKeyGAXRMLZVSOCZTN-JKYUHCHBSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167202958
5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167203094
(3S)-5,6-dichloro-1'-[(1S,3S,4S)-3,4-dihydroxycyclohexanecarbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167203391
(3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 172518716
1'-[(2R)-2-hydroxypropanoyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 156901880
(3S)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103769
1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
CID 163399289
(3S)-5,6-dichloro-1'-(2-methoxyethylsulfonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 170774122
(3S)-5,6-dichloro-1'-(2H-triazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167203189
3-[1-oxo-1-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)propan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 166226281
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932

Frequently Asked Questions

What is the IUPAC name of (3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 167203196) is (3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is C[C@H](O)C(=O)N1CC[C@]2(C1)C(=O)Nc1cc(Cl)c(Cl)cc12.
What is the InChIKey of (3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is GAXRMLZVSOCZTN-JKYUHCHBSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-7(19)12(20)18-3-2-14(6-18)8-4-9(15)10(16)5-11(8)17-13(14)21/h4-5,7,19H,2-3,6H2,1H3,(H,17,21)/t7-,14+/m0/s1.
What are the key properties of (3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 329.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 167203196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).