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

C14H14Cl2N2O4 — CID 167202958

IUPAC(3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C([C@H](O)CO)N1CC[C@]2(C1)C(=O)Nc1cc(Cl)c(Cl)cc12
InChIInChI=1S/C14H14Cl2N2O4/c15-8-3-7-10(4-9(8)16)17-13(22)14(7)1-2-18(6-14)12(21)11(20)5-19/h3-4,11,19-20H,1-2,5-6H2,(H,17,22)/t11-,14-/m1/s1
InChIKeyABVGCULQKIDNGW-BXUZGUMPSA-N
MW345.18 g/mol
LogP0.77
Rot. Bonds2

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

(3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 167202958) has the molecular formula C14H14Cl2N2O4 and a molecular weight of 345.18 g/mol. Its IUPAC name is (3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID167202958
Molecular FormulaC14H14Cl2N2O4
Molecular Weight345.18 g/mol
Exact Mass344.03
IUPAC Name(3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C([C@H](O)CO)N1CC[C@]2(C1)C(=O)Nc1cc(Cl)c(Cl)cc12
InChIInChI=1S/C14H14Cl2N2O4/c15-8-3-7-10(4-9(8)16)17-13(22)14(7)1-2-18(6-14)12(21)11(20)5-19/h3-4,11,19-20H,1-2,5-6H2,(H,17,22)/t11-,14-/m1/s1
InChIKeyABVGCULQKIDNGW-BXUZGUMPSA-N
XLogP0.77
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167203196
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
(3S)-5,6-dichloro-1'-(2H-triazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167203189
(3S)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103769
(3S)-5,6-dichloro-1'-(2-methoxyethylsulfonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 170774122
1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 67280064
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177042
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932
1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
CID 163399289

Frequently Asked Questions

What is the IUPAC name of (3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 167202958) is (3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C([C@H](O)CO)N1CC[C@]2(C1)C(=O)Nc1cc(Cl)c(Cl)cc12.
What is the InChIKey of (3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is ABVGCULQKIDNGW-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4/c15-8-3-7-10(4-9(8)16)17-13(22)14(7)1-2-18(6-14)12(21)11(20)5-19/h3-4,11,19-20H,1-2,5-6H2,(H,17,22)/t11-,14-/m1/s1.
What are the key properties of (3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 345.18 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 167202958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).